BDBM50327331 2-(4-(benzo[d][1,3]dioxol-5-yl)-3-methyl-1-o-tolyl-1H-pyrazol-5-ylamino)-5-methoxybenzoic acid::CHEMBL1258053

SMILES: COc1ccc(Nc2c(c(C)nn2-c2ccccc2C)-c2ccc3OCOc3c2)c(c1)C(O)=O

InChI Key: InChIKey=JQCWRBJAPKWIEW-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 = 50327331   

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))	BDBM50327331 (2-(4-(benzo[d][1,3]dioxol-5-yl)-3-methyl-1-o-tolyl...) Show SMILES COc1ccc(Nc2c(c(C)nn2-c2ccccc2C)-c2ccc3OCOc3c2)c(c1)C(O)=O Show InChI InChI=1S/C26H23N3O5/c1-15-6-4-5-7-21(15)29-25(27-20-10-9-18(32-3)13-19(20)26(30)31)24(16(2)28-29)17-8-11-22-23(12-17)34-14-33-22/h4-13,27H,14H2,1-3H3,(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	231	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