BDBM50096766 (R)-2-(2-{4-[2-Nitro-1-(3-phenoxy-phenylamino)-vinylamino]-phenyl}-ethylamino)-1-pyridin-3-yl-ethanol::CHEMBL419787

SMILES: OC(CNCCc1ccc(N\C([CH-][N+]([O-])=O)=[NH+]\c2cccc(Oc3ccccc3)c2)cc1)c1cccnc1

InChI Key: InChIKey=YPPOCMPVOMWHGR-UHFFFAOYSA-O

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 = 50096766   

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))	BDBM50096766 ((R)-2-(2-{4-[2-Nitro-1-(3-phenoxy-phenylamino)-vin...) Show SMILES OC(CNCCc1ccc(N\C([CH-][N+]([O-])=O)=[NH+]\c2cccc(Oc3ccccc3)c2)cc1)c1cccnc1 Show InChI InChI=1S/C29H28N5O4/c35-28(23-6-5-16-30-19-23)20-31-17-15-22-11-13-24(14-12-22)32-29(21-34(36)37)33-25-7-4-10-27(18-25)38-26-8-2-1-3-9-26/h1-14,16,18-19,21,28,31,35H,15,17,20H2,(H,32,33)/q-1/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to the human beta-2 adrenergic receptor assayed using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50096766 ((R)-2-(2-{4-[2-Nitro-1-(3-phenoxy-phenylamino)-vin...) Show SMILES OC(CNCCc1ccc(N\C([CH-][N+]([O-])=O)=[NH+]\c2cccc(Oc3ccccc3)c2)cc1)c1cccnc1 Show InChI InChI=1S/C29H28N5O4/c35-28(23-6-5-16-30-19-23)20-31-17-15-22-11-13-24(14-12-22)32-29(21-34(36)37)33-25-7-4-10-27(18-25)38-26-8-2-1-3-9-26/h1-14,16,18-19,21,28,31,35H,15,17,20H2,(H,32,33)/q-1/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human Beta-1 adrenergic receptor using [125I]-iodocyanopindolol as radioligand in CHO cells				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50096766 ((R)-2-(2-{4-[2-Nitro-1-(3-phenoxy-phenylamino)-vin...) Show SMILES OC(CNCCc1ccc(N\C([CH-][N+]([O-])=O)=[NH+]\c2cccc(Oc3ccccc3)c2)cc1)c1cccnc1 Show InChI InChI=1S/C29H28N5O4/c35-28(23-6-5-16-30-19-23)20-31-17-15-22-11-13-24(14-12-22)32-29(21-34(36)37)33-25-7-4-10-27(18-25)38-26-8-2-1-3-9-26/h1-14,16,18-19,21,28,31,35H,15,17,20H2,(H,32,33)/q-1/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro efficacy at human beta-3 adrenergic receptor.				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
					More data for this Ligand-Target Pair