BDBM50236 1-Chloro-2-(2-nitro-phenylsulfanyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-4,6-dicarboxylic acid::1-chloranyl-2-(2-nitrophenyl)sulfanyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-4,6-dicarboxylic acid::1-chloro-2-(2-nitrophenyl)sulfanyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-4,6-dicarboxylic acid::1-chloro-2-[(2-nitrophenyl)thio]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-4,6-dicarboxylic acid::MLS000553527::SMR000171624::cid_3115076

SMILES: OC(=O)C1Nc2c(cccc2C(O)=O)C2C(Cl)C(CC12)Sc1ccccc1[N+]([O-])=O

InChI Key: InChIKey=JGVHSWXYIOECCL-UHFFFAOYSA-N

Data: 1 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 2 hits for monomerid = 50236   

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-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50236 (1-Chloro-2-(2-nitro-phenylsulfanyl)-2,3,3a,4,5,9b-...) Show SMILES OC(=O)C1Nc2c(cccc2C(O)=O)C2C(Cl)C(CC12)Sc1ccccc1[N+]([O-])=O Show InChI InChI=1S/C20H17ClN2O6S/c21-16-14(30-13-7-2-1-6-12(13)23(28)29)8-11-15(16)9-4-3-5-10(19(24)25)17(9)22-18(11)20(26)27/h1-7,11,14-16,18,22H,8H2,(H,24,25)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.94E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2B56H72
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50236 (1-Chloro-2-(2-nitro-phenylsulfanyl)-2,3,3a,4,5,9b-...) Show SMILES OC(=O)C1Nc2c(cccc2C(O)=O)C2C(Cl)C(CC12)Sc1ccccc1[N+]([O-])=O Show InChI InChI=1S/C20H17ClN2O6S/c21-16-14(30-13-7-2-1-6-12(13)23(28)29)8-11-15(16)9-4-3-5-10(19(24)25)17(9)22-18(11)20(26)27/h1-7,11,14-16,18,22H,8H2,(H,24,25)(H,26,27)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.17E+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