Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Enoyl-[acyl-carrier-protein] reductase [NADH]' and Ligand = 'BDBM50295341'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50295341 (CHEMBL3597020) Show SMILES CC1(C)CCC(Cc2cc(O)c(-c3ccccc3)c(=O)[nH]2)CC1 Show InChI InChI=1S/C20H25NO2/c1-20(2)10-8-14(9-11-20)12-16-13-17(22)18(19(23)21-16)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3,(H2,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50295341 (CHEMBL3597020) Show SMILES CC1(C)CCC(Cc2cc(O)c(-c3ccccc3)c(=O)[nH]2)CC1 Show InChI InChI=1S/C20H25NO2/c1-20(2)10-8-14(9-11-20)12-16-13-17(22)18(19(23)21-16)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3,(H2,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description In vitro inhibition of [125I]VCAM-Ig binding to very late antigen -4 on jurkat cells.				Eur J Med Chem 146: 318-343 (2018) Article DOI: 10.1016/j.ejmech.2018.01.047 BindingDB Entry DOI: 10.7270/Q2GF0X12
					More data for this Ligand-Target Pair				3D Structure (crystal)