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BDBM50397150 CHEMBL2172135

SMILES: CCC[C@H](NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1)C(=O)N1CCN(CC1)C(=O)OCC

InChI Key: InChIKey=SGVVXXNCQPFEJU-BDYUSTAISA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50397150   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Purinergic receptor P2Y12


(Homo sapiens (Human))		BDBM50397150
PNG
(CHEMBL2172135)
Show SMILES CCC[C@H](NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1)C(=O)N1CCN(CC1)C(=O)OCC |r|
Show InChI InChI=1S/C33H45N7O7/c1-3-10-25(32(44)37-17-19-38(20-18-37)33(45)46-4-2)35-30(42)26-21-29(40(36-26)24-13-6-5-7-14-24)47-22-28(41)39-16-9-15-27(39)31(43)34-23-11-8-12-23/h5-7,13-14,21,23,25,27H,3-4,8-12,15-20,22H2,1-2H3,(H,34,43)(H,35,42)/t25-,27-/m0/s1
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Article
PubMed
 172n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method

J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair