BDBM50096765 (R)-2-(2-{4-[1-(3,5-Dichloro-phenylamino)-2-nitro-vinylamino]-phenyl}-ethylamino)-1-pyridin-3-yl-ethanol::CHEMBL125246

SMILES: OC(CNCCc1ccc(N\C([CH-][N+]([O-])=O)=[NH+]\c2cc(Cl)cc(Cl)c2)cc1)c1cccnc1

InChI Key: InChIKey=ORJPWSDRUVCTLI-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 = 50096765   

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))	BDBM50096765 ((R)-2-(2-{4-[1-(3,5-Dichloro-phenylamino)-2-nitro-...) Show SMILES OC(CNCCc1ccc(N\C([CH-][N+]([O-])=O)=[NH+]\c2cc(Cl)cc(Cl)c2)cc1)c1cccnc1 Show InChI InChI=1S/C23H22Cl2N5O3/c24-18-10-19(25)12-21(11-18)29-23(15-30(32)33)28-20-5-3-16(4-6-20)7-9-27-14-22(31)17-2-1-8-26-13-17/h1-6,8,10-13,15,22,27,31H,7,9,14H2,(H,28,29)/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 Similars	PubMed	n/a	n/a	5.60E+3	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-3 adrenergic receptor (Homo sapiens (Human))	BDBM50096765 ((R)-2-(2-{4-[1-(3,5-Dichloro-phenylamino)-2-nitro-...) Show SMILES OC(CNCCc1ccc(N\C([CH-][N+]([O-])=O)=[NH+]\c2cc(Cl)cc(Cl)c2)cc1)c1cccnc1 Show InChI InChI=1S/C23H22Cl2N5O3/c24-18-10-19(25)12-21(11-18)29-23(15-30(32)33)28-20-5-3-16(4-6-20)7-9-27-14-22(31)17-2-1-8-26-13-17/h1-6,8,10-13,15,22,27,31H,7,9,14H2,(H,28,29)/q-1/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	35	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
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50096765 ((R)-2-(2-{4-[1-(3,5-Dichloro-phenylamino)-2-nitro-...) Show SMILES OC(CNCCc1ccc(N\C([CH-][N+]([O-])=O)=[NH+]\c2cc(Cl)cc(Cl)c2)cc1)c1cccnc1 Show InChI InChI=1S/C23H22Cl2N5O3/c24-18-10-19(25)12-21(11-18)29-23(15-30(32)33)28-20-5-3-16(4-6-20)7-9-27-14-22(31)17-2-1-8-26-13-17/h1-6,8,10-13,15,22,27,31H,7,9,14H2,(H,28,29)/q-1/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.80E+3	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