BDBM50053945 3-Methyl-2-(4-methylsulfanyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-ylsulfanyl)-butyramide::CHEMBL130143

SMILES: CSc1nc(SC(C(C)C)C(N)=O)nc2n(ncc12)-c1ccccc1

InChI Key: InChIKey=NBIZBWLHOOZRHY-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 50053945   

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 (Rattus norvegicus (rat))	BDBM50053945 (3-Methyl-2-(4-methylsulfanyl-1-phenyl-1H-pyrazolo[...) Show SMILES CSc1nc(SC(C(C)C)C(N)=O)nc2n(ncc12)-c1ccccc1 Show InChI InChI=1S/C17H19N5OS2/c1-10(2)13(14(18)23)25-17-20-15-12(16(21-17)24-3)9-19-22(15)11-7-5-4-6-8-11/h4-10,13H,1-3H3,(H2,18,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Displacement of [3H]-N6-PIA from Adenosine A1 receptor from rat whole brain				J Med Chem 39: 4156-61 (1996) Article DOI: 10.1021/jm960052s BindingDB Entry DOI: 10.7270/Q29Z9404
					More data for this Ligand-Target Pair