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n-heptane (CID 8900) - Compound BioActivity Data
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BioActivity Outcomes:
Active(4)
 
 
Inactive(79)
 
 
Inconclusive(6)
 
 
Unspecified(8)
 
 
Top Targets:
NR LBD PPAR(8)
 
 
 
NR LBD AR(7)
 
 
 
 
NR LBD ER(7)
 
 
NR LBD Fxr(4)
 
 
NR LBD VDR(4)
 
 
 
BioAssay Types:
Confirmatory(62)
 
 
 
 
Summary(24)
 
 
 
Literature(10)
 
 
 
BioActivity Types:
Potency(80)
 
 
 
 
Kd(2)
 
 
Data download

Chemical Probe    Active    Inactive    Inconclusive    Unspecified   

Total Bioassays: 96    Data Row: 97   Total Pages: 5   Display: Page     
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#SubstanceActivityBioAssayTargetLinks
OutcomeTypeValue [μM]
1
[SID170481847]
Kd 0.322Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB [AID977611, Type: Literature]Chain A, Crystal Structure Of Fire Ant Venom Allergen, Sol I 2 [gi:358009424]
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2
[SID170481847]
Kd 0.322Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB [AID977611, Type: Literature]Chain A, Crystal Structure Of Fire Ant Venom Allergen, Sol I 2 [gi:358009424]
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3
[SID144208411]
Potency-Replicate_1 1.3045qHTS assay to identify small molecule agonists of the androgen receptor (AR) signaling pathway using the MDA cell line [AID743040, Type: confirmatory]AR protein [Homo sapiens] [gi:124375976]
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4
[SID144208411]
Potency-Replicate_1 7.4035qHTS assay to identify small molecule agonists of the androgen receptor (AR) signaling pathway [AID743036, Type: confirmatory]AR protein [Homo sapiens] [gi:124375976]
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5
[SID103370311]
Solubility in water was determined; values expressed as -log [AID13316, Type: Literature]
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6
[SID103370311]
Partition coefficient in water-hexadecane (P16) was determined [AID23718, Type: Literature]
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7
[SID103370311]
Partition coefficient (logP) [AID23737, Type: Literature]
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8
[SID103370311]
logBB, log(C brain / C blood) [AID26047, Type: Literature]
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9
[SID103370311]
In-vitro air to lung partition coefficients of the compound, logK(lung) (human/rat) [AID603950, Type: Literature]
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10
[SID103370311]
In-vitro air to blood partition coefficients of the compound, logK(blood) (human/rat) [AID603951, Type: Literature]
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11
[SID103370311]
In-vitro blood to lung partition coefficients of the compound, logP(lung) (human/rat) [AID603952, Type: Literature]
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12
[SID103370311]
Octanol-water partition coefficient, log P of the compound [AID603957, Type: Literature]
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13
[SID144208411]
Potency-Replicate_1 58.2717qHTS assay to identify small molecule agonists of the estrogen receptor alpha (ER-alpha) signaling pathway using the BG1 cell line [AID743079, Type: confirmatory]estrogen nuclear receptor alpha [Homo sapiens] [gi:348019627]
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14
[SID144208411]
Potency-Replicate_1 qHTS assay to identify small molecule antagonists of the estrogen receptor alpha (ER-alpha) signaling pathway using the BG1 cell line [AID743080, Type: confirmatory]estrogen nuclear receptor alpha [Homo sapiens] [gi:348019627]
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15
[SID144208411]
ER Potency (uM) qHTS assay to identify small molecule antagonists of the estrogen receptor alpha (ER-alpha) signaling pathway using the BG1 cell line: Summary [AID743091, Type: summary]estrogen nuclear receptor alpha [Homo sapiens] [gi:348019627]
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16
[SID144208411]
qHTS assay to identify small molecule antagonists of the peroxisome proliferator-activated receptor gamma (PPARg) signaling pathway: Summary [AID743199, Type: summary]peroxisome proliferator activated receptor gamma [Homo sapiens] [gi:216409692]
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17
[SID57244183]
DSSTox (KIERBL) EPA Estrogen Receptor Ki Binding Study (Laws et al.) Database [AID1576, Type: other]
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18
[SID144208411]
Potency-Replicate_1 qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signaling pathway using the MDA cell line [AID743042, Type: confirmatory]AR protein [Homo sapiens] [gi:124375976]
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19
[SID144208411]
Potency-Replicate_1 qHTS assay to identify small molecule antagonists of the thyroid receptor (TR) signaling pathway [AID743065, Type: confirmatory]thyroid hormone receptor beta isoform 2 [Rattus norvegicus] [gi:399498506]
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20
[SID144208411]
Potency-Replicate_1 qHTS assay to identify small molecule agonists of the thyroid receptor (TR) signaling pathway [AID743066, Type: confirmatory]thyroid hormone receptor beta isoform 2 [Rattus norvegicus] [gi:399498506]
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