BDBM33111 4,4,4-Trichloro-3-methylamino-1-(4-nitro-phenyl)-butan-1-one::4,4,4-trichloro-3-(methylamino)-1-(4-nitrophenyl)-1-butanone::4,4,4-trichloro-3-(methylamino)-1-(4-nitrophenyl)butan-1-one::4,4,4-tris(chloranyl)-3-(methylamino)-1-(4-nitrophenyl)butan-1-one::MLS000590271::SMR000217256::cid_3739292

SMILES: CNC(CC(=O)c1ccc(cc1)[N+]([O-])=O)C(Cl)(Cl)Cl

InChI Key: InChIKey=FQIHYTIJLIRZDF-UHFFFAOYSA-N

Data: 2 IC50  5 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 7 hits for monomerid = 33111   

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
Bcl-2-related protein A1 (Homo sapiens (Human))	BDBM33111 (4,4,4-Trichloro-3-methylamino-1-(4-nitro-phenyl)-b...) Show SMILES CNC(CC(=O)c1ccc(cc1)[N+]([O-])=O)C(Cl)(Cl)Cl Show InChI InChI=1S/C11H11Cl3N2O3/c1-15-10(11(12,13)14)6-9(17)7-2-4-8(5-3-7)16(18)19/h2-5,10,15H,6H2,1H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	470	n/a	n/a	7.4	4
NMMLSC Curated by PubChem BioAssay					Assay Description The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2CN728N
					More data for this Ligand-Target Pair
Bcl-2-related protein A1 (Homo sapiens (Human))	BDBM33111 (4,4,4-Trichloro-3-methylamino-1-(4-nitro-phenyl)-b...) Show SMILES CNC(CC(=O)c1ccc(cc1)[N+]([O-])=O)C(Cl)(Cl)Cl Show InChI InChI=1S/C11H11Cl3N2O3/c1-15-10(11(12,13)14)6-9(17)7-2-4-8(5-3-7)16(18)19/h2-5,10,15H,6H2,1H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	3.97E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2HQ3XCR
					More data for this Ligand-Target Pair
RPL19A (Saccharomyces cerevisiae)	BDBM33111 (4,4,4-Trichloro-3-methylamino-1-(4-nitro-phenyl)-b...) Show SMILES CNC(CC(=O)c1ccc(cc1)[N+]([O-])=O)C(Cl)(Cl)Cl Show InChI InChI=1S/C11H11Cl3N2O3/c1-15-10(11(12,13)14)6-9(17)7-2-4-8(5-3-7)16(18)19/h2-5,10,15H,6H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	6.59E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2JQ0ZGP
					More data for this Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6) (Homo sapiens (Human))	BDBM33111 (4,4,4-Trichloro-3-methylamino-1-(4-nitro-phenyl)-b...) Show SMILES CNC(CC(=O)c1ccc(cc1)[N+]([O-])=O)C(Cl)(Cl)Cl Show InChI InChI=1S/C11H11Cl3N2O3/c1-15-10(11(12,13)14)6-9(17)7-2-4-8(5-3-7)16(18)19/h2-5,10,15H,6H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	2.15E+4	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, CA...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q20P0XHD
					More data for this Ligand-Target Pair
LAP4 (Saccharomyces cerevisiae)	BDBM33111 (4,4,4-Trichloro-3-methylamino-1-(4-nitro-phenyl)-b...) Show SMILES CNC(CC(=O)c1ccc(cc1)[N+]([O-])=O)C(Cl)(Cl)Cl Show InChI InChI=1S/C11H11Cl3N2O3/c1-15-10(11(12,13)14)6-9(17)7-2-4-8(5-3-7)16(18)19/h2-5,10,15H,6H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	1.34E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q21R6P02
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli)	BDBM33111 (4,4,4-Trichloro-3-methylamino-1-(4-nitro-phenyl)-b...) Show SMILES CNC(CC(=O)c1ccc(cc1)[N+]([O-])=O)C(Cl)(Cl)Cl Show InChI InChI=1S/C11H11Cl3N2O3/c1-15-10(11(12,13)14)6-9(17)7-2-4-8(5-3-7)16(18)19/h2-5,10,15H,6H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>6.66E+4	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/Q2NG4P4X
					More data for this Ligand-Target Pair
MEP2 (Saccharomyces cerevisiae)	BDBM33111 (4,4,4-Trichloro-3-methylamino-1-(4-nitro-phenyl)-b...) Show SMILES CNC(CC(=O)c1ccc(cc1)[N+]([O-])=O)C(Cl)(Cl)Cl Show InChI InChI=1S/C11H11Cl3N2O3/c1-15-10(11(12,13)14)6-9(17)7-2-4-8(5-3-7)16(18)19/h2-5,10,15H,6H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	2.28E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2F18X5F
					More data for this Ligand-Target Pair