BDBM50189810 CHEMBL209927::N-(1-oxo-2-phenyl-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-2,2-diphenylacetamide

SMILES: O=C(Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O)C(c1ccccc1)c1ccccc1

InChI Key: InChIKey=LIKNBEXRGCISBC-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50189810   

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))	BDBM50189810 (CHEMBL209927 | N-(1-oxo-2-phenyl-1,2-dihydro-[1,2,...) Show SMILES O=C(Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H21N5O2/c35-28(25(20-12-4-1-5-13-20)21-14-6-2-7-15-21)31-26-27-32-34(22-16-8-3-9-17-22)29(36)33(27)24-19-11-10-18-23(24)30-26/h1-19,25H,(H,30,31,35)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.810	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 A1 receptor (BOVINE)	BDBM50189810 (CHEMBL209927 | N-(1-oxo-2-phenyl-1,2-dihydro-[1,2,...) Show SMILES O=C(Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H21N5O2/c35-28(25(20-12-4-1-5-13-20)21-14-6-2-7-15-21)31-26-27-32-34(22-16-8-3-9-17-22)29(36)33(27)24-19-11-10-18-23(24)30-26/h1-19,25H,(H,30,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.2	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))	BDBM50189810 (CHEMBL209927 | N-(1-oxo-2-phenyl-1,2-dihydro-[1,2,...) Show SMILES O=C(Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H21N5O2/c35-28(25(20-12-4-1-5-13-20)21-14-6-2-7-15-21)31-26-27-32-34(22-16-8-3-9-17-22)29(36)33(27)24-19-11-10-18-23(24)30-26/h1-19,25H,(H,30,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18.8	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 human adenosine A1 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 A2a (Homo sapiens (Human))	BDBM50189810 (CHEMBL209927 | N-(1-oxo-2-phenyl-1,2-dihydro-[1,2,...) Show SMILES O=C(Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H21N5O2/c35-28(25(20-12-4-1-5-13-20)21-14-6-2-7-15-21)31-26-27-32-34(22-16-8-3-9-17-22)29(36)33(27)24-19-11-10-18-23(24)30-26/h1-19,25H,(H,30,31,35)	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	1.16E+3	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]CGS 21680 from adenosine A2A receptor in bovine striatal 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