BDBM50313961 (R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)-2-(2H-1,2,3-triazol-2-yl)benzamide::CHEMBL1085441

SMILES: O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2-n2nccn2)cc1)c1cccnc1

InChI Key: InChIKey=JANYIILYPVTKHH-QHCPKHFHSA-N

Data: 2 IC50  1 EC50

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 3 hits for monomerid = 50313961   

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
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50313961 ((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...) Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2-n2nccn2)cc1)c1cccnc1 |r| Show InChI InChI=1S/C24H24N6O2/c31-23(19-4-3-12-25-16-19)17-26-13-11-18-7-9-20(10-8-18)29-24(32)21-5-1-2-6-22(21)30-27-14-15-28-30/h1-10,12,14-16,23,26,31H,11,13,17H2,(H,29,32)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter				Bioorg Med Chem Lett 20: 1895-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.130 BindingDB Entry DOI: 10.7270/Q2639QPK
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50313961 ((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...) Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2-n2nccn2)cc1)c1cccnc1 |r| Show InChI InChI=1S/C24H24N6O2/c31-23(19-4-3-12-25-16-19)17-26-13-11-18-7-9-20(10-8-18)29-24(32)21-5-1-2-6-22(21)30-27-14-15-28-30/h1-10,12,14-16,23,26,31H,11,13,17H2,(H,29,32)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter				Bioorg Med Chem Lett 20: 1895-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.130 BindingDB Entry DOI: 10.7270/Q2639QPK
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50313961 ((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...) Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2-n2nccn2)cc1)c1cccnc1 |r| Show InChI InChI=1S/C24H24N6O2/c31-23(19-4-3-12-25-16-19)17-26-13-11-18-7-9-20(10-8-18)29-24(32)21-5-1-2-6-22(21)30-27-14-15-28-30/h1-10,12,14-16,23,26,31H,11,13,17H2,(H,29,32)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	76	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...				Bioorg Med Chem Lett 20: 1895-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.130 BindingDB Entry DOI: 10.7270/Q2639QPK
					More data for this Ligand-Target Pair