BDBM50096761 (R)-2-(2-{4-[1-(3-Iodo-phenylamino)-2-nitro-vinylamino]-phenyl}-ethylamino)-1-pyridin-3-yl-ethanol::CHEMBL127428

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

InChI Key: InChIKey=NNVUWMOXPVSWPD-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 = 50096761   

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))	BDBM50096761 ((R)-2-(2-{4-[1-(3-Iodo-phenylamino)-2-nitro-vinyla...) Show SMILES OC(CNCCc1ccc(N\C([CH-][N+]([O-])=O)=[NH+]\c2cccc(I)c2)cc1)c1cccnc1 Show InChI InChI=1S/C23H23IN5O3/c24-19-4-1-5-21(13-19)28-23(16-29(31)32)27-20-8-6-17(7-9-20)10-12-26-15-22(30)18-3-2-11-25-14-18/h1-9,11,13-14,16,22,26,30H,10,12,15H2,(H,27,28)/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	1.20E+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-1 adrenergic receptor (Homo sapiens (Human))	BDBM50096761 ((R)-2-(2-{4-[1-(3-Iodo-phenylamino)-2-nitro-vinyla...) Show SMILES OC(CNCCc1ccc(N\C([CH-][N+]([O-])=O)=[NH+]\c2cccc(I)c2)cc1)c1cccnc1 Show InChI InChI=1S/C23H23IN5O3/c24-19-4-1-5-21(13-19)28-23(16-29(31)32)27-20-8-6-17(7-9-20)10-12-26-15-22(30)18-3-2-11-25-14-18/h1-9,11,13-14,16,22,26,30H,10,12,15H2,(H,27,28)/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	1.10E+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
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50096761 ((R)-2-(2-{4-[1-(3-Iodo-phenylamino)-2-nitro-vinyla...) Show SMILES OC(CNCCc1ccc(N\C([CH-][N+]([O-])=O)=[NH+]\c2cccc(I)c2)cc1)c1cccnc1 Show InChI InChI=1S/C23H23IN5O3/c24-19-4-1-5-21(13-19)28-23(16-29(31)32)27-20-8-6-17(7-9-20)10-12-26-15-22(30)18-3-2-11-25-14-18/h1-9,11,13-14,16,22,26,30H,10,12,15H2,(H,27,28)/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	22	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