BDBM50315631 2-(4-Bromophenyl)-8-phenylethylpyrazolo[4,3-e]1,2,4-triazolo-[1,5-c]pyrimidin-5-amine::CHEMBL1089902

SMILES: Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccc(Br)cc1

InChI Key: InChIKey=QKVZOWPLOFOSQQ-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 = 50315631   

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))	BDBM50315631 (2-(4-Bromophenyl)-8-phenylethylpyrazolo[4,3-e]1,2,...) Show SMILES Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccc(Br)cc1 Show InChI InChI=1S/C20H16BrN7/c21-15-8-6-14(7-9-15)17-23-19-16-12-27(11-10-13-4-2-1-3-5-13)25-18(16)24-20(22)28(19)26-17/h1-9,12H,10-11H2,(H2,22,24,25)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	221	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 A1 (Homo sapiens (Human))	BDBM50315631 (2-(4-Bromophenyl)-8-phenylethylpyrazolo[4,3-e]1,2,...) Show SMILES Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccc(Br)cc1 Show InChI InChI=1S/C20H16BrN7/c21-15-8-6-14(7-9-15)17-23-19-16-12-27(11-10-13-4-2-1-3-5-13)25-18(16)24-20(22)28(19)26-17/h1-9,12H,10-11H2,(H2,22,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	498	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 A2b (Homo sapiens (Human))	BDBM50315631 (2-(4-Bromophenyl)-8-phenylethylpyrazolo[4,3-e]1,2,...) Show SMILES Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccc(Br)cc1 Show InChI InChI=1S/C20H16BrN7/c21-15-8-6-14(7-9-15)17-23-19-16-12-27(11-10-13-4-2-1-3-5-13)25-18(16)24-20(22)28(19)26-17/h1-9,12H,10-11H2,(H2,22,24,25)	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 A2a (Homo sapiens (Human))	BDBM50315631 (2-(4-Bromophenyl)-8-phenylethylpyrazolo[4,3-e]1,2,...) Show SMILES Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccc(Br)cc1 Show InChI InChI=1S/C20H16BrN7/c21-15-8-6-14(7-9-15)17-23-19-16-12-27(11-10-13-4-2-1-3-5-13)25-18(16)24-20(22)28(19)26-17/h1-9,12H,10-11H2,(H2,22,24,25)	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	>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]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