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BDBM50451991 CHEMBL608938

SMILES: O[C@@H]1[C@@H](CSc2cccc(F)c2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12

InChI Key: InChIKey=HYSLMPVDMNYCFX-YPCFTJQESA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50451991   
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)		BDBM50451991
PNG
(CHEMBL608938)
Show SMILES O[C@@H]1[C@@H](CSc2cccc(F)c2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r|
Show InChI InChI=1S/C20H22FN5O4S/c21-11-2-1-3-13(6-11)31-8-14-16(27)17(28)20(30-14)26-10-24-15-18(22-9-23-19(15)26)25-12-4-5-29-7-12/h1-3,6,9-10,12,14,16-17,20,27-28H,4-5,7-8H2,(H,22,23,25)/t12?,14-,16-,17-,20?/m1/s1
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PC cid
PC sid
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Similars
Article
PubMed
 1.57E+3n/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; 1571+/-245

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