BDBM50327329 5-methoxy-2-(4-(4-methoxyphenyl)-3-methyl-1-o-tolyl-1H-pyrazol-5-ylamino)benzoic acid::CHEMBL1257942

SMILES: COc1ccc(cc1)-c1c(C)nn(c1Nc1ccc(OC)cc1C(O)=O)-c1ccccc1C

InChI Key: InChIKey=AKFTWGIHLCFSSO-UHFFFAOYSA-N

Data: 1 IC50

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 = 50327329   

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))	BDBM50327329 (5-methoxy-2-(4-(4-methoxyphenyl)-3-methyl-1-o-toly...) Show SMILES COc1ccc(cc1)-c1c(C)nn(c1Nc1ccc(OC)cc1C(O)=O)-c1ccccc1C Show InChI InChI=1S/C26H25N3O4/c1-16-7-5-6-8-23(16)29-25(27-22-14-13-20(33-4)15-21(22)26(30)31)24(17(2)28-29)18-9-11-19(32-3)12-10-18/h5-15,27H,1-4H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	306	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Schering Pharma AG Curated by ChEMBL					Assay Description Antagonist activity at adenosine A1 receptor by cAMP assay				Bioorg Med Chem Lett 20: 5891-4 (2010) Article DOI: 10.1016/j.bmcl.2010.07.095 BindingDB Entry DOI: 10.7270/Q2FQ9WV8
					More data for this Ligand-Target Pair