BDBM50327332 2-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-methyl-1-o-tolyl-1H-pyrazol-5-ylamino)-5-methoxybenzoic acid::CHEMBL1258169

SMILES: COc1ccc(Nc2c(c(C)nn2-c2ccccc2C)-c2ccc3OCCOc3c2)c(c1)C(O)=O

InChI Key: InChIKey=PVIOPFGRAVVJCG-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 = 50327332   

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))	BDBM50327332 (2-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-methy...) Show SMILES COc1ccc(Nc2c(c(C)nn2-c2ccccc2C)-c2ccc3OCCOc3c2)c(c1)C(O)=O Show InChI InChI=1S/C27H25N3O5/c1-16-6-4-5-7-22(16)30-26(28-21-10-9-19(33-3)15-20(21)27(31)32)25(17(2)29-30)18-8-11-23-24(14-18)35-13-12-34-23/h4-11,14-15,28H,12-13H2,1-3H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	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