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BDBM260862 US9540323, 49::US9540323, example 49

SMILES: CCC1(CC)CN(c2c1c(Cl)ccc2O)c1ccccc1NC(=O)Nc1nc2ccc(F)cc2s1

InChI Key: InChIKey=QAPNCRUVYQFFMS-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 260862   
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 P2Y1


(Homo sapiens (Human))		BDBM260862
PNG
(US9540323, 49 | US9540323, example 49)
Show SMILES CCC1(CC)CN(c2c1c(Cl)ccc2O)c1ccccc1NC(=O)Nc1nc2ccc(F)cc2s1
Show InChI InChI=1S/C26H24ClFN4O2S/c1-3-26(4-2)14-32(23-20(33)12-10-16(27)22(23)26)19-8-6-5-7-17(19)29-24(34)31-25-30-18-11-9-15(28)13-21(18)35-25/h5-13,33H,3-4,14H2,1-2H3,(H2,29,30,31,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 6.60 -11.2n/an/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...

US Patent US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair