BDBM50327335 5-methyl-2-(3-methyl-4-(quinoxalin-6-yl)-1-o-tolyl-1H-pyrazol-5-ylamino)benzoic acid::CHEMBL1258284

SMILES: Cc1nn(c(Nc2ccc(C)cc2C(O)=O)c1-c1ccc2nccnc2c1)-c1ccccc1C

InChI Key: InChIKey=LHWLONNBSVYLSB-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50327335   

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))	BDBM50327335 (5-methyl-2-(3-methyl-4-(quinoxalin-6-yl)-1-o-tolyl...) Show SMILES Cc1nn(c(Nc2ccc(C)cc2C(O)=O)c1-c1ccc2nccnc2c1)-c1ccccc1C Show InChI InChI=1S/C27H23N5O2/c1-16-8-10-21(20(14-16)27(33)34)30-26-25(19-9-11-22-23(15-19)29-13-12-28-22)18(3)31-32(26)24-7-5-4-6-17(24)2/h4-15,30H,1-3H3,(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.10	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
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50327335 (5-methyl-2-(3-methyl-4-(quinoxalin-6-yl)-1-o-tolyl...) Show SMILES Cc1nn(c(Nc2ccc(C)cc2C(O)=O)c1-c1ccc2nccnc2c1)-c1ccccc1C Show InChI InChI=1S/C27H23N5O2/c1-16-8-10-21(20(14-16)27(33)34)30-26-25(19-9-11-22-23(15-19)29-13-12-28-22)18(3)31-32(26)24-7-5-4-6-17(24)2/h4-15,30H,1-3H3,(H,33,34)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	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 A2B 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
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50327335 (5-methyl-2-(3-methyl-4-(quinoxalin-6-yl)-1-o-tolyl...) Show SMILES Cc1nn(c(Nc2ccc(C)cc2C(O)=O)c1-c1ccc2nccnc2c1)-c1ccccc1C Show InChI InChI=1S/C27H23N5O2/c1-16-8-10-21(20(14-16)27(33)34)30-26-25(19-9-11-22-23(15-19)29-13-12-28-22)18(3)31-32(26)24-7-5-4-6-17(24)2/h4-15,30H,1-3H3,(H,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	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 A2A 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