BDBM114408 2-(7-chloranylquinolin-4-yl)sulfanylethanoic acid::2-(7-chloroquinolin-4-yl)sulfanylacetic acid::2-[(7-chloro-4-quinolinyl)sulfanyl]acetic acid::2-[(7-chloro-4-quinolinyl)thio]acetic acid::2-[(7-chloro-4-quinolyl)thio]acetic acid::MLS000850622::SMR000456640::cid_224672

SMILES: OC(=O)CSc1ccnc2cc(Cl)ccc12

InChI Key: InChIKey=YFWVKWISZZSPFR-UHFFFAOYSA-N

Data: 5 IC50  3 Kd

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 8 hits for monomerid = 114408   

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
Prion protein (Homo sapiens (Human))	BDBM114408 (2-(7-chloranylquinolin-4-yl)sulfanylethanoic acid ...) Show SMILES OC(=O)CSc1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C11H8ClNO2S/c12-7-1-2-8-9(5-7)13-4-3-10(8)16-6-11(14)15/h1-5H,6H2,(H,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.04E+3	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 (2014) BindingDB Entry DOI: 10.7270/Q2HM573M
					More data for this Ligand-Target Pair
Metallo-beta-lactamase VIM-2 (VIM-2) (Pseudomonas aeruginosa (g-Proteobacteria))	BDBM114408 (2-(7-chloranylquinolin-4-yl)sulfanylethanoic acid ...) Show SMILES OC(=O)CSc1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C11H8ClNO2S/c12-7-1-2-8-9(5-7)13-4-3-10(8)16-6-11(14)15/h1-5H,6H2,(H,14,15)	PDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa 301-5473 metallo-beta-lactamase VIM-2 expressed in Escherichia coli BL21(DE3) using nitrocefin as substrate prei...				J Med Chem 58: 8671-82 (2015) BindingDB Entry DOI: 10.7270/Q2959KCH
					More data for this Ligand-Target Pair
Metallo-beta-lactamase VIM-2 (VIM-2) (Pseudomonas aeruginosa (g-Proteobacteria))	BDBM114408 (2-(7-chloranylquinolin-4-yl)sulfanylethanoic acid ...) Show SMILES OC(=O)CSc1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C11H8ClNO2S/c12-7-1-2-8-9(5-7)13-4-3-10(8)16-6-11(14)15/h1-5H,6H2,(H,14,15)	PDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	2.64E+5	n/a	n/a	n/a	n/a	n/a
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Binding affinity to Pseudomonas aeruginosa 301-5473 metallo-beta-lactamase VIM-2 expressed in Escherichia coli BL21(DE3) measured for 15 secs by SPR ...				J Med Chem 58: 8671-82 (2015) BindingDB Entry DOI: 10.7270/Q2959KCH
					More data for this Ligand-Target Pair
Beta-lactamase (Klebsiella pneumoniae)	BDBM114408 (2-(7-chloranylquinolin-4-yl)sulfanylethanoic acid ...) Show SMILES OC(=O)CSc1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C11H8ClNO2S/c12-7-1-2-8-9(5-7)13-4-3-10(8)16-6-11(14)15/h1-5H,6H2,(H,14,15)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Inhibition of native signal containing Klebsiella pneumoniae OXA-48 using nitrocefin substrate pre-incubated for 5 mins before substrate addition				J Med Chem 59: 5542-54 (2016) Article DOI: 10.1021/acs.jmedchem.6b00660 BindingDB Entry DOI: 10.7270/Q2NP26CK
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM114408 (2-(7-chloranylquinolin-4-yl)sulfanylethanoic acid ...) Show SMILES OC(=O)CSc1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C11H8ClNO2S/c12-7-1-2-8-9(5-7)13-4-3-10(8)16-6-11(14)15/h1-5H,6H2,(H,14,15)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	8.04E+5	n/a	n/a	n/a	n/a	n/a
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Binding affinity to His-tagged Klebsiella pneumoniae NDM-1 expressed in Escherichia coli BL21-AI cells by surface plasmon resonance assay				Bioorg Med Chem Lett 26: 1973-7 (2016) BindingDB Entry DOI: 10.7270/Q2FT8NXX
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM114408 (2-(7-chloranylquinolin-4-yl)sulfanylethanoic acid ...) Show SMILES OC(=O)CSc1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C11H8ClNO2S/c12-7-1-2-8-9(5-7)13-4-3-10(8)16-6-11(14)15/h1-5H,6H2,(H,14,15)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	7.94E+5	n/a	n/a	n/a	n/a	n/a
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Binding affinity to His-tagged Klebsiella pneumoniae NDM-1 expressed in Escherichia coli BL21-AI cells by surface plasmon resonance assay				Bioorg Med Chem Lett 26: 1973-7 (2016) BindingDB Entry DOI: 10.7270/Q2FT8NXX
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM114408 (2-(7-chloranylquinolin-4-yl)sulfanylethanoic acid ...) Show SMILES OC(=O)CSc1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C11H8ClNO2S/c12-7-1-2-8-9(5-7)13-4-3-10(8)16-6-11(14)15/h1-5H,6H2,(H,14,15)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.07E+6	n/a	n/a	n/a	n/a	n/a	n/a
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Inhibition of His-tagged Klebsiella pneumoniae NDM-1 expressed in Escherichia coli BL21-AI cells using imipinem as substrate				Bioorg Med Chem Lett 26: 1973-7 (2016) BindingDB Entry DOI: 10.7270/Q2FT8NXX
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM114408 (2-(7-chloranylquinolin-4-yl)sulfanylethanoic acid ...) Show SMILES OC(=O)CSc1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C11H8ClNO2S/c12-7-1-2-8-9(5-7)13-4-3-10(8)16-6-11(14)15/h1-5H,6H2,(H,14,15)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.24E+6	n/a	n/a	n/a	n/a	n/a	n/a
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Inhibition of His-tagged Klebsiella pneumoniae NDM-1 expressed in Escherichia coli BL21-AI cells using imipinem as substrate				Bioorg Med Chem Lett 26: 1973-7 (2016) BindingDB Entry DOI: 10.7270/Q2FT8NXX
					More data for this Ligand-Target Pair