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BDBM50452006 CHEMBL610371

SMILES: O[C@@H]1[C@@H](CSc2nccs2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12

InChI Key: InChIKey=RRCXGGRODYPJLN-LFLXKQNJSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50452006   
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)		BDBM50452006
PNG
(CHEMBL610371)
Show SMILES O[C@@H]1[C@@H](CSc2nccs2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r|
Show InChI InChI=1S/C17H20N6O4S2/c24-12-10(6-29-17-18-2-4-28-17)27-16(13(12)25)23-8-21-11-14(19-7-20-15(11)23)22-9-1-3-26-5-9/h2,4,7-10,12-13,16,24-25H,1,3,5-6H2,(H,19,20,22)/t9?,10-,12-,13-,16?/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 158n/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; 158+/-21

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