BDBM59098 Bi-ligand, 1

SMILES: Oc1ccc(\C=C2/SC(=S)N(CC([O-])=O)C2=O)cc1O

InChI Key: InChIKey=MNPZQUQRMCXSTL-WTKPLQERSA-M

Data: 3 KI

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 = 59098   

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
Dihydrodipicolinate reductase (DHPR) (Escherichia coli)	BDBM59098 (Bi-ligand, 1) Show SMILES Oc1ccc(\C=C2/SC(=S)N(CC([O-])=O)C2=O)cc1O Show InChI InChI=1S/C12H9NO5S2/c14-7-2-1-6(3-8(7)15)4-9-11(18)13(5-10(16)17)12(19)20-9/h1-4,14-15H,5H2,(H,16,17)/p-1/b9-4-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Triad Therapeutics, Inc					Assay Description All reactions were monitored spectrophotometrically at 340 nm by using initial rates from the first 5% of reaction.				Chem Biol 11: 185-94 (2004) Article DOI: 10.1016/j.chembiol.2004.02.012 BindingDB Entry DOI: 10.7270/Q2K9360M
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Escherichia coli)	BDBM59098 (Bi-ligand, 1) Show SMILES Oc1ccc(\C=C2/SC(=S)N(CC([O-])=O)C2=O)cc1O Show InChI InChI=1S/C12H9NO5S2/c14-7-2-1-6(3-8(7)15)4-9-11(18)13(5-10(16)17)12(19)20-9/h1-4,14-15H,5H2,(H,16,17)/p-1/b9-4-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Triad Therapeutics, Inc					Assay Description All reactions were monitored spectrophotometrically at 340 nm by using initial rates from the first 5% of reaction.				Chem Biol 11: 185-94 (2004) Article DOI: 10.1016/j.chembiol.2004.02.012 BindingDB Entry DOI: 10.7270/Q2K9360M
					More data for this Ligand-Target Pair
D-lactate dehydrogenase (Escherichia coli)	BDBM59098 (Bi-ligand, 1) Show SMILES Oc1ccc(\C=C2/SC(=S)N(CC([O-])=O)C2=O)cc1O Show InChI InChI=1S/C12H9NO5S2/c14-7-2-1-6(3-8(7)15)4-9-11(18)13(5-10(16)17)12(19)20-9/h1-4,14-15H,5H2,(H,16,17)/p-1/b9-4-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Triad Therapeutics, Inc					Assay Description All reactions were monitored spectrophotometrically at 340 nm by using initial rates from the first 5% of reaction.				Chem Biol 11: 185-94 (2004) Article DOI: 10.1016/j.chembiol.2004.02.012 BindingDB Entry DOI: 10.7270/Q2K9360M
					More data for this Ligand-Target Pair