BDBM50392 (E)-3-(3,4-dimethoxyphenyl)-N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]acrylamide::(E)-3-(3,4-dimethoxyphenyl)-N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-2-propenamide::(E)-3-(3,4-dimethoxyphenyl)-N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]prop-2-enamide::(E)-3-(3,4-dimethoxyphenyl)-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]prop-2-enamide::MLS000714183::SMR000274163::cid_5768784

SMILES: COc1ccc(C=CC(=O)NC(=S)Nc2cc(ccc2O)[N+]([O-])=O)cc1OC

InChI Key: InChIKey=CCNCWUDUWLWPSO-UHFFFAOYSA-N

Data: 5 IC50

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 5 hits for monomerid = 50392   

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
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50392 ((E)-3-(3,4-dimethoxyphenyl)-N-[(2-hydroxy-5-nitro-...) Show SMILES COc1ccc(C=CC(=O)NC(=S)Nc2cc(ccc2O)[N+]([O-])=O)cc1OC |w:6.5| Show InChI InChI=1S/C18H17N3O6S/c1-26-15-7-3-11(9-16(15)27-2)4-8-17(23)20-18(28)19-13-10-12(21(24)25)5-6-14(13)22/h3-10,22H,1-2H3,(H2,19,20,23,28)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q23X8539
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50392 ((E)-3-(3,4-dimethoxyphenyl)-N-[(2-hydroxy-5-nitro-...) Show SMILES COc1ccc(C=CC(=O)NC(=S)Nc2cc(ccc2O)[N+]([O-])=O)cc1OC |w:6.5| Show InChI InChI=1S/C18H17N3O6S/c1-26-15-7-3-11(9-16(15)27-2)4-8-17(23)20-18(28)19-13-10-12(21(24)25)5-6-14(13)22/h3-10,22H,1-2H3,(H2,19,20,23,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ
					More data for this Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (Homo sapiens (Human))	BDBM50392 ((E)-3-(3,4-dimethoxyphenyl)-N-[(2-hydroxy-5-nitro-...) Show SMILES COc1ccc(C=CC(=O)NC(=S)Nc2cc(ccc2O)[N+]([O-])=O)cc1OC |w:6.5| Show InChI InChI=1S/C18H17N3O6S/c1-26-15-7-3-11(9-16(15)27-2)4-8-17(23)20-18(28)19-13-10-12(21(24)25)5-6-14(13)22/h3-10,22H,1-2H3,(H2,19,20,23,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2JD4VDZ
					More data for this Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (Homo sapiens (Human))	BDBM50392 ((E)-3-(3,4-dimethoxyphenyl)-N-[(2-hydroxy-5-nitro-...) Show SMILES COc1ccc(C=CC(=O)NC(=S)Nc2cc(ccc2O)[N+]([O-])=O)cc1OC |w:6.5| Show InChI InChI=1S/C18H17N3O6S/c1-26-15-7-3-11(9-16(15)27-2)4-8-17(23)20-18(28)19-13-10-12(21(24)25)5-6-14(13)22/h3-10,22H,1-2H3,(H2,19,20,23,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2GM85XC
					More data for this Ligand-Target Pair
Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 (Homo sapiens (Human))	BDBM50392 ((E)-3-(3,4-dimethoxyphenyl)-N-[(2-hydroxy-5-nitro-...) Show SMILES COc1ccc(C=CC(=O)NC(=S)Nc2cc(ccc2O)[N+]([O-])=O)cc1OC |w:6.5| Show InChI InChI=1S/C18H17N3O6S/c1-26-15-7-3-11(9-16(15)27-2)4-8-17(23)20-18(28)19-13-10-12(21(24)25)5-6-14(13)22/h3-10,22H,1-2H3,(H2,19,20,23,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2V986KM
					More data for this Ligand-Target Pair