BDBM50096779 (R)-2-(2-{4-[1-(Naphthalen-2-ylamino)-2-nitro-vinylamino]-phenyl}-ethylamino)-1-pyridin-3-yl-ethanol::CHEMBL410702

SMILES: OC(CNCCc1ccc(N\C([CH-][N+]([O-])=O)=[NH+]\c2ccc3ccccc3c2)cc1)c1cccnc1

InChI Key: InChIKey=MXNOWQICJBDTLS-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 = 50096779   

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))	BDBM50096779 ((R)-2-(2-{4-[1-(Naphthalen-2-ylamino)-2-nitro-viny...) Show SMILES OC(CNCCc1ccc(N\C([CH-][N+]([O-])=O)=[NH+]\c2ccc3ccccc3c2)cc1)c1cccnc1 Show InChI InChI=1S/C27H26N5O3/c33-26(23-6-3-14-28-17-23)18-29-15-13-20-7-10-24(11-8-20)30-27(19-32(34)35)31-25-12-9-21-4-1-2-5-22(21)16-25/h1-12,14,16-17,19,26,29,33H,13,15,18H2,(H,30,31)/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	3.40E+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))	BDBM50096779 ((R)-2-(2-{4-[1-(Naphthalen-2-ylamino)-2-nitro-viny...) Show SMILES OC(CNCCc1ccc(N\C([CH-][N+]([O-])=O)=[NH+]\c2ccc3ccccc3c2)cc1)c1cccnc1 Show InChI InChI=1S/C27H26N5O3/c33-26(23-6-3-14-28-17-23)18-29-15-13-20-7-10-24(11-8-20)30-27(19-32(34)35)31-25-12-9-21-4-1-2-5-22(21)16-25/h1-12,14,16-17,19,26,29,33H,13,15,18H2,(H,30,31)/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	820	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))	BDBM50096779 ((R)-2-(2-{4-[1-(Naphthalen-2-ylamino)-2-nitro-viny...) Show SMILES OC(CNCCc1ccc(N\C([CH-][N+]([O-])=O)=[NH+]\c2ccc3ccccc3c2)cc1)c1cccnc1 Show InChI InChI=1S/C27H26N5O3/c33-26(23-6-3-14-28-17-23)18-29-15-13-20-7-10-24(11-8-20)30-27(19-32(34)35)31-25-12-9-21-4-1-2-5-22(21)16-25/h1-12,14,16-17,19,26,29,33H,13,15,18H2,(H,30,31)/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	180	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