BDBM50044975 CHEMBL3309763

SMILES: ONC(=O)CN1C(=S)S\C(=C/c2ccc(O)c(O)c2)C1=O

InChI Key: InChIKey=OCWLWNNESIGNST-WTKPLQERSA-N

Data: 3 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 3 hits for monomerid = 50044975   

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
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Escherichia coli)	BDBM50044975 (CHEMBL3309763) Show SMILES ONC(=O)CN1C(=S)S\C(=C/c2ccc(O)c(O)c2)C1=O Show InChI InChI=1S/C12H10N2O5S2/c15-7-2-1-6(3-8(7)16)4-9-11(18)14(12(20)21-9)5-10(17)13-19/h1-4,15-16,19H,5H2,(H,13,17)/b9-4-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+3	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
Malate dehydrogenase (Thermus thermophilus)	BDBM50044975 (CHEMBL3309763) Show SMILES ONC(=O)CN1C(=S)S\C(=C/c2ccc(O)c(O)c2)C1=O Show InChI InChI=1S/C12H10N2O5S2/c15-7-2-1-6(3-8(7)16)4-9-11(18)14(12(20)21-9)5-10(17)13-19/h1-4,15-16,19H,5H2,(H,13,17)/b9-4-	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	3.40E+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)	BDBM50044975 (CHEMBL3309763) Show SMILES ONC(=O)CN1C(=S)S\C(=C/c2ccc(O)c(O)c2)C1=O Show InChI InChI=1S/C12H10N2O5S2/c15-7-2-1-6(3-8(7)16)4-9-11(18)14(12(20)21-9)5-10(17)13-19/h1-4,15-16,19H,5H2,(H,13,17)/b9-4-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10E+3	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 presence of 0.01% Tr...				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