BDBM31748 8-chloranyl-9-nitro-6-oxidanyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid::8-chloro-6-hydroxy-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid::MLS-0111541.0001::cid_3453217

SMILES: OC(=O)C1Nc2c(O)cc(Cl)c(c2C2C=CCC12)[N+]([O-])=O

InChI Key: InChIKey=WGUAPOVFDKLQGB-UHFFFAOYSA-N

Data: 9 IC50  2 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 11 hits for monomerid = 31748   

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
MKP-3 (Rattus norvegicus)	BDBM31748 (8-chloranyl-9-nitro-6-oxidanyl-3a,4,5,9b-tetrahydr...) Show SMILES OC(=O)C1Nc2c(O)cc(Cl)c(c2C2C=CCC12)[N+]([O-])=O |c:15| Show InChI InChI=1S/C13H11ClN2O5/c14-7-4-8(17)11-9(12(7)16(20)21)5-2-1-3-6(5)10(15-11)13(18)19/h1-2,4-6,10,15,17H,3H2,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.54E+4	n/a	n/a	n/a	n/a	7.0	23
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Burnham Institute for Medical Research (BIMR, La Jolla, CA) Network: NIH...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2N87841
					More data for this Ligand-Target Pair
MKP-3 (Rattus norvegicus)	BDBM31748 (8-chloranyl-9-nitro-6-oxidanyl-3a,4,5,9b-tetrahydr...) Show SMILES OC(=O)C1Nc2c(O)cc(Cl)c(c2C2C=CCC12)[N+]([O-])=O |c:15| Show InChI InChI=1S/C13H11ClN2O5/c14-7-4-8(17)11-9(12(7)16(20)21)5-2-1-3-6(5)10(15-11)13(18)19/h1-2,4-6,10,15,17H,3H2,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.68E+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 (2008) BindingDB Entry DOI: 10.7270/Q25H7DPX
					More data for this Ligand-Target Pair
Heat Shock 70kDa Protein 1 (Homo sapiens (Human))	BDBM31748 (8-chloranyl-9-nitro-6-oxidanyl-3a,4,5,9b-tetrahydr...) Show SMILES OC(=O)C1Nc2c(O)cc(Cl)c(c2C2C=CCC12)[N+]([O-])=O |c:15| Show InChI InChI=1S/C13H11ClN2O5/c14-7-4-8(17)11-9(12(7)16(20)21)5-2-1-3-6(5)10(15-11)13(18)19/h1-2,4-6,10,15,17H,3H2,(H,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2S75DRW
					More data for this Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver (Homo sapiens (Human))	BDBM31748 (8-chloranyl-9-nitro-6-oxidanyl-3a,4,5,9b-tetrahydr...) Show SMILES OC(=O)C1Nc2c(O)cc(Cl)c(c2C2C=CCC12)[N+]([O-])=O |c:15| Show InChI InChI=1S/C13H11ClN2O5/c14-7-4-8(17)11-9(12(7)16(20)21)5-2-1-3-6(5)10(15-11)13(18)19/h1-2,4-6,10,15,17H,3H2,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.78E+4	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-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q289148T
					More data for this Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP) (Homo sapiens (Human))	BDBM31748 (8-chloranyl-9-nitro-6-oxidanyl-3a,4,5,9b-tetrahydr...) Show SMILES OC(=O)C1Nc2c(O)cc(Cl)c(c2C2C=CCC12)[N+]([O-])=O |c:15| Show InChI InChI=1S/C13H11ClN2O5/c14-7-4-8(17)11-9(12(7)16(20)21)5-2-1-3-6(5)10(15-11)13(18)19/h1-2,4-6,10,15,17H,3H2,(H,18,19)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	7.98E+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 (2009) BindingDB Entry DOI: 10.7270/Q2474894
					More data for this Ligand-Target Pair
cardiac alpha tropomyosin (Sus scrofa)	BDBM31748 (8-chloranyl-9-nitro-6-oxidanyl-3a,4,5,9b-tetrahydr...) Show SMILES OC(=O)C1Nc2c(O)cc(Cl)c(c2C2C=CCC12)[N+]([O-])=O |c:15| Show InChI InChI=1S/C13H11ClN2O5/c14-7-4-8(17)11-9(12(7)16(20)21)5-2-1-3-6(5)10(15-11)13(18)19/h1-2,4-6,10,15,17H,3H2,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2GQ6W7C
					More data for this Ligand-Target Pair
eukaryotic translation initiation factor 4 gamma, 1 isoform 4 (Homo sapiens (Human))	BDBM31748 (8-chloranyl-9-nitro-6-oxidanyl-3a,4,5,9b-tetrahydr...) Show SMILES OC(=O)C1Nc2c(O)cc(Cl)c(c2C2C=CCC12)[N+]([O-])=O |c:15| Show InChI InChI=1S/C13H11ClN2O5/c14-7-4-8(17)11-9(12(7)16(20)21)5-2-1-3-6(5)10(15-11)13(18)19/h1-2,4-6,10,15,17H,3H2,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.21E+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 Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation NIH Molecular Libraries Screening Centers Network [MLSC...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2RN3686
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM31748 (8-chloranyl-9-nitro-6-oxidanyl-3a,4,5,9b-tetrahydr...) Show SMILES OC(=O)C1Nc2c(O)cc(Cl)c(c2C2C=CCC12)[N+]([O-])=O |c:15| Show InChI InChI=1S/C13H11ClN2O5/c14-7-4-8(17)11-9(12(7)16(20)21)5-2-1-3-6(5)10(15-11)13(18)19/h1-2,4-6,10,15,17H,3H2,(H,18,19)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.40E+4	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
POsterior Segregation family member (pos-1) (Caenorhabditis elegans)	BDBM31748 (8-chloranyl-9-nitro-6-oxidanyl-3a,4,5,9b-tetrahydr...) Show SMILES OC(=O)C1Nc2c(O)cc(Cl)c(c2C2C=CCC12)[N+]([O-])=O |c:15| Show InChI InChI=1S/C13H11ClN2O5/c14-7-4-8(17)11-9(12(7)16(20)21)5-2-1-3-6(5)10(15-11)13(18)19/h1-2,4-6,10,15,17H,3H2,(H,18,19)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.16E+5	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q28G8J4C
					More data for this Ligand-Target Pair
RecName: Full=Zinc finger protein mex-5 (Caenorhabditis elegans)	BDBM31748 (8-chloranyl-9-nitro-6-oxidanyl-3a,4,5,9b-tetrahydr...) Show SMILES OC(=O)C1Nc2c(O)cc(Cl)c(c2C2C=CCC12)[N+]([O-])=O |c:15| Show InChI InChI=1S/C13H11ClN2O5/c14-7-4-8(17)11-9(12(7)16(20)21)5-2-1-3-6(5)10(15-11)13(18)19/h1-2,4-6,10,15,17H,3H2,(H,18,19)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.91E+4	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2D798VP
					More data for this Ligand-Target Pair
heat shock 70kDa protein 8 isoform 2 (Homo sapiens (Human))	BDBM31748 (8-chloranyl-9-nitro-6-oxidanyl-3a,4,5,9b-tetrahydr...) Show SMILES OC(=O)C1Nc2c(O)cc(Cl)c(c2C2C=CCC12)[N+]([O-])=O |c:15| Show InChI InChI=1S/C13H11ClN2O5/c14-7-4-8(17)11-9(12(7)16(20)21)5-2-1-3-6(5)10(15-11)13(18)19/h1-2,4-6,10,15,17H,3H2,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.75E+5	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-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q20G3HKD
					More data for this Ligand-Target Pair