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BDBM50367275 CHEMBL604626

SMILES: OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(cc4)C(F)(F)F)cc3)ncnc12

InChI Key: InChIKey=WIIGAKDAGVCDKY-DEUHNHRLSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50367275   
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 receptor A1


(Rattus norvegicus (rat))		BDBM50367275
PNG
(CHEMBL604626)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(cc4)C(F)(F)F)cc3)ncnc12 |r|
Show InChI InChI=1S/C25H23F3N6O5/c26-25(27,28)14-3-7-15(8-4-14)32-18(36)9-13-1-5-16(6-2-13)33-22-19-23(30-11-29-22)34(12-31-19)24-21(38)20(37)17(10-35)39-24/h1-8,11-12,17,20-21,24,35,37-38H,9-10H2,(H,32,36)(H,29,30,33)/t17-,20-,21-,24?/m1/s1
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Similars
PubMed
 3.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM N6-[3H]cyclohexyladenosine to adenosine A1 receptor on rat cerebral cortical membranes.

J Med Chem 28: 1341-6 (1985)


BindingDB Entry DOI: 10.7270/Q2BP03CS
More data for this
Ligand-Target Pair