Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Enoyl-[acyl-carrier-protein] reductase [NADH]' and Ligand = 'BDBM25796'   

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...)	BDBM25796 (5-{[4-(9H-fluoren-9-yl)piperazin-1-yl]carbonyl}-1H...) Show SMILES O=C(N1CCN(CC1)C1c2ccccc2-c2ccccc12)c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C26H23N3O/c30-26(19-9-10-24-18(17-19)11-12-27-24)29-15-13-28(14-16-29)25-22-7-3-1-5-20(22)21-6-2-4-8-23(21)25/h1-12,17,25,27H,13-16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem	DrugBank MMDB PDB Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis InhA using trans-2-decenoyl-CoA as substrate				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)
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM25796 (5-{[4-(9H-fluoren-9-yl)piperazin-1-yl]carbonyl}-1H...) Show SMILES O=C(N1CCN(CC1)C1c2ccccc2-c2ccccc12)c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C26H23N3O/c30-26(19-9-10-24-18(17-19)11-12-27-24)29-15-13-28(14-16-29)25-22-7-3-1-5-20(22)21-6-2-4-8-23(21)25/h1-12,17,25,27H,13-16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem	DrugBank MMDB PDB	n/a	n/a	160	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...)	BDBM25796 (5-{[4-(9H-fluoren-9-yl)piperazin-1-yl]carbonyl}-1H...) Show SMILES O=C(N1CCN(CC1)C1c2ccccc2-c2ccccc12)c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C26H23N3O/c30-26(19-9-10-24-18(17-19)11-12-27-24)29-15-13-28(14-16-29)25-22-7-3-1-5-20(22)21-6-2-4-8-23(21)25/h1-12,17,25,27H,13-16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem	DrugBank MMDB PDB Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation					Assay Description The assay measured the NADH-dependent catalysis of an octenoyl-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to ...				Bioorg Med Chem 15: 6649-58 (2007) Article DOI: 10.1016/j.bmc.2007.08.013 BindingDB Entry DOI: 10.7270/Q24M92VH
					More data for this Ligand-Target Pair				3D Structure (crystal)