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BDBM50451990 CHEMBL609538

SMILES: O[C@@H]1[C@@H](CSc2c(Cl)cccc2Cl)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12

InChI Key: InChIKey=SAWJMCIHYCLBTD-RWBQGSSBSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50451990   
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
Adenosine A1 receptor


(GUINEA PIG)		BDBM50451990
PNG
(CHEMBL609538)
Show SMILES O[C@@H]1[C@@H](CSc2c(Cl)cccc2Cl)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r|
Show InChI InChI=1S/C20H21Cl2N5O4S/c21-11-2-1-3-12(22)17(11)32-7-13-15(28)16(29)20(31-13)27-9-25-14-18(23-8-24-19(14)27)26-10-4-5-30-6-10/h1-3,8-10,13,15-16,20,28-29H,4-7H2,(H,23,24,26)/t10?,13-,15-,16-,20?/m1/s1
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PC sid
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Similars
Article
PubMed
 614n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 614+/-78

Bioorg Med Chem Lett 14: 3793-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.096
BindingDB Entry DOI: 10.7270/Q20Z73TX
More data for this
Ligand-Target Pair