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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 12' and Ligand = 'BDBM50127869'   
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
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50127869
PNG
(CHEMBL299307 | Sterol sulfate)
Show SMILES C[C@H](C(O)C(O)C(C)C(C)(C)C)C1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OS([O-])(=O)=O)[C@@H](C[C@]4(C)[C@@]3(C)CC[C@]12C)OS([O-])(=O)=O
Show InChI InChI=1S/C30H54O10S2/c1-17(25(31)26(32)18(2)27(3,4)5)20-11-12-21-22-10-9-19-15-23(39-41(33,34)35)24(40-42(36,37)38)16-30(19,8)29(22,7)14-13-28(20,21)6/h17-26,31-32H,9-16H2,1-8H3,(H,33,34,35)(H,36,37,38)/p-2/t17-,18?,19-,20?,21-,22-,23-,24+,25?,26?,28+,29-,30-/m0/s1
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PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Purinergic receptor P2Y12 using [3H]-2-methylthio-ADP as radioligand

Bioorg Med Chem Lett 13: 1791-4 (2003)


BindingDB Entry DOI: 10.7270/Q2RV0N2T
More data for this
Ligand-Target Pair