BDBM31761 6-(benzenesulfonyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid::6-(phenylsulfonyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid::6-besyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid::MLS-0111897.0001::cid_16654892

SMILES: OC(=O)C1Nc2c(cccc2S(=O)(=O)c2ccccc2)C2C=CCC12

InChI Key: InChIKey=UFZHQEXDMZQDGA-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 31761   

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)	BDBM31761 (6-(benzenesulfonyl)-3a,4,5,9b-tetrahydro-3H-cyclop...) Show SMILES OC(=O)C1Nc2c(cccc2S(=O)(=O)c2ccccc2)C2C=CCC12 |c:23| Show InChI InChI=1S/C19H17NO4S/c21-19(22)18-15-9-4-8-13(15)14-10-5-11-16(17(14)20-18)25(23,24)12-6-2-1-3-7-12/h1-8,10-11,13,15,18,20H,9H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	5.87E+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
Hematopoietic protein-tyrosine phosphatase (HEPTP) (Homo sapiens (Human))	BDBM31761 (6-(benzenesulfonyl)-3a,4,5,9b-tetrahydro-3H-cyclop...) Show SMILES OC(=O)C1Nc2c(cccc2S(=O)(=O)c2ccccc2)C2C=CCC12 |c:23| Show InChI InChI=1S/C19H17NO4S/c21-19(22)18-15-9-4-8-13(15)14-10-5-11-16(17(14)20-18)25(23,24)12-6-2-1-3-7-12/h1-8,10-11,13,15,18,20H,9H2,(H,21,22)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	4.04E+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 (2009) BindingDB Entry DOI: 10.7270/Q2474894
					More data for this Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver (Homo sapiens (Human))	BDBM31761 (6-(benzenesulfonyl)-3a,4,5,9b-tetrahydro-3H-cyclop...) Show SMILES OC(=O)C1Nc2c(cccc2S(=O)(=O)c2ccccc2)C2C=CCC12 |c:23| Show InChI InChI=1S/C19H17NO4S/c21-19(22)18-15-9-4-8-13(15)14-10-5-11-16(17(14)20-18)25(23,24)12-6-2-1-3-7-12/h1-8,10-11,13,15,18,20H,9H2,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	5.64E+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
MKP-3 (Rattus norvegicus)	BDBM31761 (6-(benzenesulfonyl)-3a,4,5,9b-tetrahydro-3H-cyclop...) Show SMILES OC(=O)C1Nc2c(cccc2S(=O)(=O)c2ccccc2)C2C=CCC12 |c:23| Show InChI InChI=1S/C19H17NO4S/c21-19(22)18-15-9-4-8-13(15)14-10-5-11-16(17(14)20-18)25(23,24)12-6-2-1-3-7-12/h1-8,10-11,13,15,18,20H,9H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	5.22E+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