BDBM50315636 CHEMBL1090241::N-[2-(4-Bromophenyl)-8-methylpyrazolo[4,3-e][1,2,4]triazolo-[1,5-c]pyrimidin-5-yl]benzamide

SMILES: Cn1cc2c(n1)nc(NC(=O)c1ccccc1)n1nc(nc21)-c1ccc(Br)cc1

InChI Key: InChIKey=HHGORBANVQEXRY-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 = 50315636   

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))	BDBM50315636 (CHEMBL1090241 | N-[2-(4-Bromophenyl)-8-methylpyraz...) Show SMILES Cn1cc2c(n1)nc(NC(=O)c1ccccc1)n1nc(nc21)-c1ccc(Br)cc1 Show InChI InChI=1S/C20H14BrN7O/c1-27-11-15-17(25-27)23-20(24-19(29)13-5-3-2-4-6-13)28-18(15)22-16(26-28)12-7-9-14(21)10-8-12/h2-11H,1H3,(H,23,24,25,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.24	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))	BDBM50315636 (CHEMBL1090241 | N-[2-(4-Bromophenyl)-8-methylpyraz...) Show SMILES Cn1cc2c(n1)nc(NC(=O)c1ccccc1)n1nc(nc21)-c1ccc(Br)cc1 Show InChI InChI=1S/C20H14BrN7O/c1-27-11-15-17(25-27)23-20(24-19(29)13-5-3-2-4-6-13)28-18(15)22-16(26-28)12-7-9-14(21)10-8-12/h2-11H,1H3,(H,23,24,25,29)	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))	BDBM50315636 (CHEMBL1090241 | N-[2-(4-Bromophenyl)-8-methylpyraz...) Show SMILES Cn1cc2c(n1)nc(NC(=O)c1ccccc1)n1nc(nc21)-c1ccc(Br)cc1 Show InChI InChI=1S/C20H14BrN7O/c1-27-11-15-17(25-27)23-20(24-19(29)13-5-3-2-4-6-13)28-18(15)22-16(26-28)12-7-9-14(21)10-8-12/h2-11H,1H3,(H,23,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+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))	BDBM50315636 (CHEMBL1090241 | N-[2-(4-Bromophenyl)-8-methylpyraz...) Show SMILES Cn1cc2c(n1)nc(NC(=O)c1ccccc1)n1nc(nc21)-c1ccc(Br)cc1 Show InChI InChI=1S/C20H14BrN7O/c1-27-11-15-17(25-27)23-20(24-19(29)13-5-3-2-4-6-13)28-18(15)22-16(26-28)12-7-9-14(21)10-8-12/h2-11H,1H3,(H,23,24,25,29)	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+5	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