BDBM50003649 CHEMBL3234937

SMILES: CC(=O)Nc1ccc(cc1)-c1nc(SCc2csc(n2)-c2ccc(Cl)cc2)nc(N)c1C#N

InChI Key: InChIKey=PQSBBFMDPXAVHT-UHFFFAOYSA-N

Data: 1 KI  1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50003649   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50003649 (CHEMBL3234937) Show SMILES CC(=O)Nc1ccc(cc1)-c1nc(SCc2csc(n2)-c2ccc(Cl)cc2)nc(N)c1C#N Show InChI InChI=1S/C23H17ClN6OS2/c1-13(31)27-17-8-4-14(5-9-17)20-19(10-25)21(26)30-23(29-20)33-12-18-11-32-22(28-18)15-2-6-16(24)7-3-15/h2-9,11H,12H2,1H3,(H,27,31)(H2,26,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting analysis				J Med Chem 57: 3213-22 (2014) Article DOI: 10.1021/jm401643m BindingDB Entry DOI: 10.7270/Q27P90X6
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50003649 (CHEMBL3234937) Show SMILES CC(=O)Nc1ccc(cc1)-c1nc(SCc2csc(n2)-c2ccc(Cl)cc2)nc(N)c1C#N Show InChI InChI=1S/C23H17ClN6OS2/c1-13(31)27-17-8-4-14(5-9-17)20-19(10-25)21(26)30-23(29-20)33-12-18-11-32-22(28-18)15-2-6-16(24)7-3-15/h2-9,11H,12H2,1H3,(H,27,31)(H2,26,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.90	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Agonist activity human adenosine A1 receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mi...				J Med Chem 57: 3213-22 (2014) Article DOI: 10.1021/jm401643m BindingDB Entry DOI: 10.7270/Q27P90X6
					More data for this Ligand-Target Pair