BDBM50189814 CHEMBL211862::N-(2-(4-methoxyphenyl)-6-nitro-1-oxo-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-2,2-diphenylacetamide

SMILES: COc1ccc(cc1)-n1nc2c(NC(=O)C(c3ccccc3)c3ccccc3)nc3c(cccc3n2c1=O)[N+]([O-])=O

InChI Key: InChIKey=NYQXAUGPKPPXNS-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50189814   

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 A3 (Homo sapiens (Human))	BDBM50189814 (CHEMBL211862 | N-(2-(4-methoxyphenyl)-6-nitro-1-ox...) Show SMILES COc1ccc(cc1)-n1nc2c(NC(=O)C(c3ccccc3)c3ccccc3)nc3c(cccc3n2c1=O)[N+]([O-])=O Show InChI InChI=1S/C30H22N6O5/c1-41-22-17-15-21(16-18-22)35-30(38)34-23-13-8-14-24(36(39)40)26(23)31-27(28(34)33-35)32-29(37)25(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-18,25H,1H3,(H,31,32,37)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells				J Med Chem 49: 3916-25 (2006) Article DOI: 10.1021/jm060373w BindingDB Entry DOI: 10.7270/Q25H7FW1
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50189814 (CHEMBL211862 | N-(2-(4-methoxyphenyl)-6-nitro-1-ox...) Show SMILES COc1ccc(cc1)-n1nc2c(NC(=O)C(c3ccccc3)c3ccccc3)nc3c(cccc3n2c1=O)[N+]([O-])=O Show InChI InChI=1S/C30H22N6O5/c1-41-22-17-15-21(16-18-22)35-30(38)34-23-13-8-14-24(36(39)40)26(23)31-27(28(34)33-35)32-29(37)25(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-18,25H,1H3,(H,31,32,37)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counter				J Med Chem 55: 5676-703 (2012) Article DOI: 10.1021/jm300087j BindingDB Entry DOI: 10.7270/Q25H7HDK
					More data for this Ligand-Target Pair
Adenosine A1 receptor (BOVINE)	BDBM50189814 (CHEMBL211862 | N-(2-(4-methoxyphenyl)-6-nitro-1-ox...) Show SMILES COc1ccc(cc1)-n1nc2c(NC(=O)C(c3ccccc3)c3ccccc3)nc3c(cccc3n2c1=O)[N+]([O-])=O Show InChI InChI=1S/C30H22N6O5/c1-41-22-17-15-21(16-18-22)35-30(38)34-23-13-8-14-24(36(39)40)26(23)31-27(28(34)33-35)32-29(37)25(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-18,25H,1H3,(H,31,32,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in bovine brain membranes				J Med Chem 49: 3916-25 (2006) Article DOI: 10.1021/jm060373w BindingDB Entry DOI: 10.7270/Q25H7FW1
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50189814 (CHEMBL211862 | N-(2-(4-methoxyphenyl)-6-nitro-1-ox...) Show SMILES COc1ccc(cc1)-n1nc2c(NC(=O)C(c3ccccc3)c3ccccc3)nc3c(cccc3n2c1=O)[N+]([O-])=O Show InChI InChI=1S/C30H22N6O5/c1-41-22-17-15-21(16-18-22)35-30(38)34-23-13-8-14-24(36(39)40)26(23)31-27(28(34)33-35)32-29(37)25(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-18,25H,1H3,(H,31,32,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 60 mins by gamma counter				J Med Chem 55: 5676-703 (2012) Article DOI: 10.1021/jm300087j BindingDB Entry DOI: 10.7270/Q25H7HDK
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50189814 (CHEMBL211862 | N-(2-(4-methoxyphenyl)-6-nitro-1-ox...) Show SMILES COc1ccc(cc1)-n1nc2c(NC(=O)C(c3ccccc3)c3ccccc3)nc3c(cccc3n2c1=O)[N+]([O-])=O Show InChI InChI=1S/C30H22N6O5/c1-41-22-17-15-21(16-18-22)35-30(38)34-23-13-8-14-24(36(39)40)26(23)31-27(28(34)33-35)32-29(37)25(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-18,25H,1H3,(H,31,32,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in CHO cells after 60 mins by gamma counter				J Med Chem 55: 5676-703 (2012) Article DOI: 10.1021/jm300087j BindingDB Entry DOI: 10.7270/Q25H7HDK
					More data for this Ligand-Target Pair