BDBM50315641 CHEMBL1093202::N-[2-(Phenyl)-8-phenylethyl-pyrazolo[4,3-e][1,2,4]triazolo-[1,5-c]pyrimidin-5-yl]benzamide

SMILES: O=C(Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccccc1)c1ccccc1

InChI Key: InChIKey=VSWCOBIDKGRDKM-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 = 50315641   

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))	BDBM50315641 (CHEMBL1093202 | N-[2-(Phenyl)-8-phenylethyl-pyrazo...) Show SMILES O=C(Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H21N7O/c35-26(21-14-8-3-9-15-21)30-27-29-24-22(18-33(31-24)17-16-19-10-4-1-5-11-19)25-28-23(32-34(25)27)20-12-6-2-7-13-20/h1-15,18H,16-17H2,(H,29,30,31,35)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23.9	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))	BDBM50315641 (CHEMBL1093202 | N-[2-(Phenyl)-8-phenylethyl-pyrazo...) Show SMILES O=C(Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H21N7O/c35-26(21-14-8-3-9-15-21)30-27-29-24-22(18-33(31-24)17-16-19-10-4-1-5-11-19)25-28-23(32-34(25)27)20-12-6-2-7-13-20/h1-15,18H,16-17H2,(H,29,30,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	313	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))	BDBM50315641 (CHEMBL1093202 | N-[2-(Phenyl)-8-phenylethyl-pyrazo...) Show SMILES O=C(Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H21N7O/c35-26(21-14-8-3-9-15-21)30-27-29-24-22(18-33(31-24)17-16-19-10-4-1-5-11-19)25-28-23(32-34(25)27)20-12-6-2-7-13-20/h1-15,18H,16-17H2,(H,29,30,31,35)	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	963	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
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50315641 (CHEMBL1093202 | N-[2-(Phenyl)-8-phenylethyl-pyrazo...) Show SMILES O=C(Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H21N7O/c35-26(21-14-8-3-9-15-21)30-27-29-24-22(18-33(31-24)17-16-19-10-4-1-5-11-19)25-28-23(32-34(25)27)20-12-6-2-7-13-20/h1-15,18H,16-17H2,(H,29,30,31,35)	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