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PubMed code 1370696

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prostanoid IP receptor


(Homo sapiens (human))
BDBM50002401
PNG
(8-(4,5-Diphenyl-pyrazol-1-yl)-octanoic acid | CHEM...)
Show SMILES OC(=O)CCCCCCCn1ncc(c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H26N2O2/c26-22(27)16-10-2-1-3-11-17-25-23(20-14-8-5-9-15-20)21(18-24-25)19-12-6-4-7-13-19/h4-9,12-15,18H,1-3,10-11,16-17H2,(H,26,27)
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PubMed
n/an/a 160n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
IC50 value of the compound was evaluated by measuring the displacement of [3H]-iloprost from Prostaglandin I2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (human))
BDBM50002404
PNG
(9-(3,4,5-Triphenyl-pyrazol-1-yl)-nonanoic acid | C...)
Show SMILES OC(=O)CCCCCCCCn1nc(c(c1-c1ccccc1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C30H32N2O2/c33-27(34)22-14-3-1-2-4-15-23-32-30(26-20-12-7-13-21-26)28(24-16-8-5-9-17-24)29(31-32)25-18-10-6-11-19-25/h5-13,16-21H,1-4,14-15,22-23H2,(H,33,34)
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PubMed
n/an/a 160n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
IC50 value of the compound was evaluated by measuring the displacement of [3H]-iloprost from Prostaglandin I2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (human))
BDBM50002410
PNG
(9-(3,4-Diphenyl-pyrazol-1-yl)-nonanoic acid | 9-(3...)
Show SMILES OC(=O)CCCCCCCCn1cc(c(n1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H28N2O2/c27-23(28)17-11-3-1-2-4-12-18-26-19-22(20-13-7-5-8-14-20)24(25-26)21-15-9-6-10-16-21/h5-10,13-16,19H,1-4,11-12,17-18H2,(H,27,28)
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PubMed
n/an/a 350n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
IC50 value of the compound was evaluated by measuring the displacement of [3H]-iloprost from Prostaglandin I2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (human))
BDBM50002406
PNG
(9-(4,5-Diphenyl-pyrazol-1-yl)-nonanoic acid | CHEM...)
Show SMILES OC(=O)CCCCCCCCn1ncc(c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H28N2O2/c27-23(28)17-11-3-1-2-4-12-18-26-24(21-15-9-6-10-16-21)22(19-25-26)20-13-7-5-8-14-20/h5-10,13-16,19H,1-4,11-12,17-18H2,(H,27,28)
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PubMed
n/an/a 700n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
IC50 value of the compound was evaluated by measuring the displacement of [3H]-iloprost from Prostaglandin I2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (human))
BDBM50002409
PNG
(9-(4-Phenyl-pyrazol-1-yl)-nonanoic acid | CHEMBL12...)
Show SMILES OC(=O)CCCCCCCCn1cc(cn1)-c1ccccc1
Show InChI InChI=1S/C18H24N2O2/c21-18(22)12-8-3-1-2-4-9-13-20-15-17(14-19-20)16-10-6-5-7-11-16/h5-7,10-11,14-15H,1-4,8-9,12-13H2,(H,21,22)
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
IC50 value of the compound was evaluated by measuring the displacement of [3H]-iloprost from Prostaglandin I2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (human))
BDBM50002403
PNG
(9-(3,5-Diphenyl-pyrazol-1-yl)-nonanoic acid | CHEM...)
Show SMILES OC(=O)CCCCCCCCn1nc(cc1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H28N2O2/c27-24(28)17-11-3-1-2-4-12-18-26-23(21-15-9-6-10-16-21)19-22(25-26)20-13-7-5-8-14-20/h5-10,13-16,19H,1-4,11-12,17-18H2,(H,27,28)
NCI pathway
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
IC50 value of the compound was evaluated by measuring the displacement of [3H]-iloprost from Prostaglandin I2 receptor


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%