BDBM50044974 CHEMBL3309762

SMILES: Oc1ccc(\C=C2/SC(=S)N(CC(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)C2=O)c(O)c1

InChI Key: InChIKey=KVSFSWTXQXDIMM-NHDPSOOVSA-N

Data: 2 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 2 hits for monomerid = 50044974   

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
Malate dehydrogenase (Thermus thermophilus)	BDBM50044974 (CHEMBL3309762) Show SMILES Oc1ccc(\C=C2/SC(=S)N(CC(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)C2=O)c(O)c1 Show InChI InChI=1S/C24H17ClN2O5S2/c25-15-2-7-18(8-3-15)32-19-9-4-16(5-10-19)26-22(30)13-27-23(31)21(34-24(27)33)11-14-1-6-17(28)12-20(14)29/h1-12,28-29H,13H2,(H,26,30)/b21-11-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg/CNRS Curated by ChEMBL					Assay Description Inhibition of Thermus flavus MDH pre-incubated for 4 mins before reaction initiation in presence of OAA and NAPH in absence of 0.01% Triton X100 by U...				Bioorg Med Chem 22: 3713-9 (2014) Article DOI: 10.1016/j.bmc.2014.05.004 BindingDB Entry DOI: 10.7270/Q2057HKT
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Escherichia coli)	BDBM50044974 (CHEMBL3309762) Show SMILES Oc1ccc(\C=C2/SC(=S)N(CC(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)C2=O)c(O)c1 Show InChI InChI=1S/C24H17ClN2O5S2/c25-15-2-7-18(8-3-15)32-19-9-4-16(5-10-19)26-22(30)13-27-23(31)21(34-24(27)33)11-14-1-6-17(28)12-20(14)29/h1-12,28-29H,13H2,(H,26,30)/b21-11-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg/CNRS Curated by ChEMBL					Assay Description Inhibition of His-tagged Escherichia coli DXR pre-incubated for 2 mins before reaction initiation in presence of 160 uM NADPH in absence of 0.01% Tri...				Bioorg Med Chem 22: 3713-9 (2014) Article DOI: 10.1016/j.bmc.2014.05.004 BindingDB Entry DOI: 10.7270/Q2057HKT
					More data for this Ligand-Target Pair