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SMILES: Clc1ccccc1CC(=O)N1CCC(C1)c1ccc2OCOc2c1

InChI Key: InChIKey=UTQHYSKDYWZBHC-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50452516   

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 [NADPH] FabI [9-251] (Staphylococcus aureus)	BDBM50452516 (CHEMBL4211939) Show SMILES Clc1ccccc1CC(=O)N1CCC(C1)c1ccc2OCOc2c1 Show InChI InChI=1S/C19H18ClNO3/c20-16-4-2-1-3-14(16)10-19(22)21-8-7-15(11-21)13-5-6-17-18(9-13)24-12-23-17/h1-6,9,15H,7-8,10-12H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novalex Therapeutics Curated by ChEMBL					Assay Description Competitive inhibition of Staphylococcus aureus subsp. aureus Rosenbach ATCC 43300 FabI using crotonyl-CoA as substrate in presence of NADPH/NADH aft...				Bioorg Med Chem 26: 65-76 (2018) Article DOI: 10.1016/j.bmc.2017.11.018 BindingDB Entry DOI: 10.7270/Q2QF8WF7
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI [9-251] (Staphylococcus aureus)	BDBM50452516 (CHEMBL4211939) Show SMILES Clc1ccccc1CC(=O)N1CCC(C1)c1ccc2OCOc2c1 Show InChI InChI=1S/C19H18ClNO3/c20-16-4-2-1-3-14(16)10-19(22)21-8-7-15(11-21)13-5-6-17-18(9-13)24-12-23-17/h1-6,9,15H,7-8,10-12H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novalex Therapeutics Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus subsp. aureus Rosenbach ATCC 43300 FabI using crotonyl-CoA as substrate in presence of NADPH/NADH after 10 mins b...				Bioorg Med Chem 26: 65-76 (2018) Article DOI: 10.1016/j.bmc.2017.11.018 BindingDB Entry DOI: 10.7270/Q2QF8WF7
					More data for this Ligand-Target Pair