BDBM50358848 CHEMBL1923433

SMILES: Cc1[nH]c(C(=O)NC2CCN(CC2)c2ncc(s2)C(O)=O)c(Cl)c1Cl

InChI Key: InChIKey=DCKPCHMCUFLQER-UHFFFAOYSA-N

Data: 5 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 7 hits for monomerid = 50358848   

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
DNA Gyrase Subunit B (Staphylococcus aureus)	BDBM50358848 (CHEMBL1923433) Show SMILES Cc1[nH]c(C(=O)NC2CCN(CC2)c2ncc(s2)C(O)=O)c(Cl)c1Cl Show InChI InChI=1S/C15H16Cl2N4O3S/c1-7-10(16)11(17)12(19-7)13(22)20-8-2-4-21(5-3-8)15-18-6-9(25-15)14(23)24/h6,8,19H,2-5H2,1H3,(H,20,22)(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATPase activity of Staphylococcus aureus GyrB				J Med Chem 57: 6060-82 (2014) Article DOI: 10.1021/jm500462x BindingDB Entry DOI: 10.7270/Q24J0GR1
					More data for this Ligand-Target Pair
Toxin ParE (Escherichia coli)	BDBM50358848 (CHEMBL1923433) Show SMILES Cc1[nH]c(C(=O)NC2CCN(CC2)c2ncc(s2)C(O)=O)c(Cl)c1Cl Show InChI InChI=1S/C15H16Cl2N4O3S/c1-7-10(16)11(17)12(19-7)13(22)20-8-2-4-21(5-3-8)15-18-6-9(25-15)14(23)24/h6,8,19H,2-5H2,1H3,(H,20,22)(H,23,24)	UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATPase activity of Escherichia coli ParE				J Med Chem 57: 6060-82 (2014) Article DOI: 10.1021/jm500462x BindingDB Entry DOI: 10.7270/Q24J0GR1
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2) (Homo sapiens (Human))	BDBM50358848 (CHEMBL1923433) Show SMILES Cc1[nH]c(C(=O)NC2CCN(CC2)c2ncc(s2)C(O)=O)c(Cl)c1Cl Show InChI InChI=1S/C15H16Cl2N4O3S/c1-7-10(16)11(17)12(19-7)13(22)20-8-2-4-21(5-3-8)15-18-6-9(25-15)14(23)24/h6,8,19H,2-5H2,1H3,(H,20,22)(H,23,24)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.45E+5	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Stimulation of ATPase activity of human MRP2 assessed as inorganic phosphate				J Med Chem 57: 6060-82 (2014) Article DOI: 10.1021/jm500462x BindingDB Entry DOI: 10.7270/Q24J0GR1
					More data for this Ligand-Target Pair
DNA Gyrase Subunit B (Staphylococcus aureus)	BDBM50358848 (CHEMBL1923433) Show SMILES Cc1[nH]c(C(=O)NC2CCN(CC2)c2ncc(s2)C(O)=O)c(Cl)c1Cl Show InChI InChI=1S/C15H16Cl2N4O3S/c1-7-10(16)11(17)12(19-7)13(22)20-8-2-4-21(5-3-8)15-18-6-9(25-15)14(23)24/h6,8,19H,2-5H2,1H3,(H,20,22)(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of ATPase activity of recombinant Staphylococcus aureus DNA gyrase B hybrid tetramer enzyme reconstituted from Escherichia coli GyrA by am...				Bioorg Med Chem Lett 21: 7416-20 (2011) Article DOI: 10.1016/j.bmcl.2011.10.010 BindingDB Entry DOI: 10.7270/Q2RB7512
					More data for this Ligand-Target Pair
Canalicular multispecific organic anion transporter 1 (Rattus norvegicus)	BDBM50358848 (CHEMBL1923433) Show SMILES Cc1[nH]c(C(=O)NC2CCN(CC2)c2ncc(s2)C(O)=O)c(Cl)c1Cl Show InChI InChI=1S/C15H16Cl2N4O3S/c1-7-10(16)11(17)12(19-7)13(22)20-8-2-4-21(5-3-8)15-18-6-9(25-15)14(23)24/h6,8,19H,2-5H2,1H3,(H,20,22)(H,23,24)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Stimulation of ATPase activity of rat Mrp2 assessed as inorganic phosphate				J Med Chem 57: 6060-82 (2014) Article DOI: 10.1021/jm500462x BindingDB Entry DOI: 10.7270/Q24J0GR1
					More data for this Ligand-Target Pair
Canalicular multispecific organic anion transporter 1 (Rattus norvegicus)	BDBM50358848 (CHEMBL1923433) Show SMILES Cc1[nH]c(C(=O)NC2CCN(CC2)c2ncc(s2)C(O)=O)c(Cl)c1Cl Show InChI InChI=1S/C15H16Cl2N4O3S/c1-7-10(16)11(17)12(19-7)13(22)20-8-2-4-21(5-3-8)15-18-6-9(25-15)14(23)24/h6,8,19H,2-5H2,1H3,(H,20,22)(H,23,24)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATPase activity of rat Mrp2 assessed as inorganic phosphate				J Med Chem 57: 6060-82 (2014) Article DOI: 10.1021/jm500462x BindingDB Entry DOI: 10.7270/Q24J0GR1
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2) (Homo sapiens (Human))	BDBM50358848 (CHEMBL1923433) Show SMILES Cc1[nH]c(C(=O)NC2CCN(CC2)c2ncc(s2)C(O)=O)c(Cl)c1Cl Show InChI InChI=1S/C15H16Cl2N4O3S/c1-7-10(16)11(17)12(19-7)13(22)20-8-2-4-21(5-3-8)15-18-6-9(25-15)14(23)24/h6,8,19H,2-5H2,1H3,(H,20,22)(H,23,24)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATPase activity of human MRP2 assessed as inorganic phosphate				J Med Chem 57: 6060-82 (2014) Article DOI: 10.1021/jm500462x BindingDB Entry DOI: 10.7270/Q24J0GR1
					More data for this Ligand-Target Pair