BDBM50436715 CHEMBL2398661

SMILES: O=C(COc1ccccc1)NCCSc1c[nH]c2ccccc12

InChI Key: InChIKey=NPQPYCILAYVQJH-UHFFFAOYSA-N

Data: 1 KI  1 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 = 50436715   

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
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis subsp. tularensis (strain S...)	BDBM50436715 (CHEMBL2398661) Show SMILES O=C(COc1ccccc1)NCCSc1c[nH]c2ccccc12 Show InChI InChI=1S/C18H18N2O2S/c21-18(13-22-14-6-2-1-3-7-14)19-10-11-23-17-12-20-16-9-5-4-8-15(16)17/h1-9,12,20H,10-11,13H2,(H,19,21)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Naval Research Laboratories Curated by ChEMBL					Assay Description Competitive inhibition of C-terminal His6-tagged Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrat...				J Med Chem 56: 5275-87 (2014) Article DOI: 10.1021/jm4001242 BindingDB Entry DOI: 10.7270/Q2D79CTG
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis subsp. tularensis (strain S...)	BDBM50436715 (CHEMBL2398661) Show SMILES O=C(COc1ccccc1)NCCSc1c[nH]c2ccccc12 Show InChI InChI=1S/C18H18N2O2S/c21-18(13-22-14-6-2-1-3-7-14)19-10-11-23-17-12-20-16-9-5-4-8-15(16)17/h1-9,12,20H,10-11,13H2,(H,19,21)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Naval Research Laboratories Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged wild type Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrate ...				J Med Chem 56: 5275-87 (2014) Article DOI: 10.1021/jm4001242 BindingDB Entry DOI: 10.7270/Q2D79CTG
					More data for this Ligand-Target Pair