BDBM50315639 CHEMBL1091963::N-Benzoyl-N-[8-methyl-2-(4-methoxyphenyl)-8H-pyrazolo-[4,3-e][1,2,4]triazolo[1,5 c]pyrimidin-5-yl]benzamide

SMILES: COc1ccc(cc1)-c1nc2c3cn(C)nc3nc(N(C(=O)c3ccccc3)C(=O)c3ccccc3)n2n1

InChI Key: InChIKey=BHIAMMOJJASTFP-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 = 50315639   

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))	BDBM50315639 (CHEMBL1091963 | N-Benzoyl-N-[8-methyl-2-(4-methoxy...) Show SMILES COc1ccc(cc1)-c1nc2c3cn(C)nc3nc(N(C(=O)c3ccccc3)C(=O)c3ccccc3)n2n1 Show InChI InChI=1S/C28H21N7O3/c1-33-17-22-24(31-33)30-28(35-25(22)29-23(32-35)18-13-15-21(38-2)16-14-18)34(26(36)19-9-5-3-6-10-19)27(37)20-11-7-4-8-12-20/h3-17H,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50315639 (CHEMBL1091963 | N-Benzoyl-N-[8-methyl-2-(4-methoxy...) Show SMILES COc1ccc(cc1)-c1nc2c3cn(C)nc3nc(N(C(=O)c3ccccc3)C(=O)c3ccccc3)n2n1 Show InChI InChI=1S/C28H21N7O3/c1-33-17-22-24(31-33)30-28(35-25(22)29-23(32-35)18-13-15-21(38-2)16-14-18)34(26(36)19-9-5-3-6-10-19)27(37)20-11-7-4-8-12-20/h3-17H,1-2H3	NCI pathway 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
National University of Singapore Curated by ChEMBL					Assay Description Antagonist activity at human cloned adenosine A2b receptor expressed in CHO cells assessed as inhibition of NECA-stimulated cAMP accumulation				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315639 (CHEMBL1091963 | N-Benzoyl-N-[8-methyl-2-(4-methoxy...) Show SMILES COc1ccc(cc1)-c1nc2c3cn(C)nc3nc(N(C(=O)c3ccccc3)C(=O)c3ccccc3)n2n1 Show InChI InChI=1S/C28H21N7O3/c1-33-17-22-24(31-33)30-28(35-25(22)29-23(32-35)18-13-15-21(38-2)16-14-18)34(26(36)19-9-5-3-6-10-19)27(37)20-11-7-4-8-12-20/h3-17H,1-2H3	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
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human cloned adenosine A1 receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50315639 (CHEMBL1091963 | N-Benzoyl-N-[8-methyl-2-(4-methoxy...) Show SMILES COc1ccc(cc1)-c1nc2c3cn(C)nc3nc(N(C(=O)c3ccccc3)C(=O)c3ccccc3)n2n1 Show InChI InChI=1S/C28H21N7O3/c1-33-17-22-24(31-33)30-28(35-25(22)29-23(32-35)18-13-15-21(38-2)16-14-18)34(26(36)19-9-5-3-6-10-19)27(37)20-11-7-4-8-12-20/h3-17H,1-2H3	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
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human cloned adenosine A2a receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
					More data for this Ligand-Target Pair