BDBM50096767 3-(1-{4-[2-((R)-2-Hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenylamino}-2-nitro-vinylamino)-benzamide::CHEMBL127451

SMILES: NC(=O)c1cccc(c1)\[NH+]=C(/[CH-][N+]([O-])=O)Nc1ccc(CCNCC(O)c2cccnc2)cc1

InChI Key: InChIKey=RXCCKHHODKRZFP-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 = 50096767   

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))	BDBM50096767 (3-(1-{4-[2-((R)-2-Hydroxy-2-pyridin-3-yl-ethylamin...) Show SMILES NC(=O)c1cccc(c1)\[NH+]=C(/[CH-][N+]([O-])=O)Nc1ccc(CCNCC(O)c2cccnc2)cc1 Show InChI InChI=1S/C24H25N6O4/c25-24(32)18-3-1-5-21(13-18)29-23(16-30(33)34)28-20-8-6-17(7-9-20)10-12-27-15-22(31)19-4-2-11-26-14-19/h1-9,11,13-14,16,22,27,31H,10,12,15H2,(H2,25,32)(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	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))	BDBM50096767 (3-(1-{4-[2-((R)-2-Hydroxy-2-pyridin-3-yl-ethylamin...) Show SMILES NC(=O)c1cccc(c1)\[NH+]=C(/[CH-][N+]([O-])=O)Nc1ccc(CCNCC(O)c2cccnc2)cc1 Show InChI InChI=1S/C24H25N6O4/c25-24(32)18-3-1-5-21(13-18)29-23(16-30(33)34)28-20-8-6-17(7-9-20)10-12-27-15-22(31)19-4-2-11-26-14-19/h1-9,11,13-14,16,22,27,31H,10,12,15H2,(H2,25,32)(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	790	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))	BDBM50096767 (3-(1-{4-[2-((R)-2-Hydroxy-2-pyridin-3-yl-ethylamin...) Show SMILES NC(=O)c1cccc(c1)\[NH+]=C(/[CH-][N+]([O-])=O)Nc1ccc(CCNCC(O)c2cccnc2)cc1 Show InChI InChI=1S/C24H25N6O4/c25-24(32)18-3-1-5-21(13-18)29-23(16-30(33)34)28-20-8-6-17(7-9-20)10-12-27-15-22(31)19-4-2-11-26-14-19/h1-9,11,13-14,16,22,27,31H,10,12,15H2,(H2,25,32)(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	10	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