Compile Data Set for Download or QSAR

Found 24 hits with Last Name = 'pedgaonkar' and Initial = 'gs'   

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...)	BDBM50026388 (CHEMBL3331278) Show SMILES Cc1nc2ccc(Cl)cc2c(=O)n1CC(=O)Nc1ccccc1 Show InChI InChI=1S/C17H14ClN3O2/c1-11-19-15-8-7-12(18)9-14(15)17(23)21(11)10-16(22)20-13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science - Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant InhA expressed in Escherichia coli BL21 (DE3) using 2-trans-decenoyl substrate by spectrophotome...				Eur J Med Chem 86: 613-27 (2014) Article DOI: 10.1016/j.ejmech.2014.09.028 BindingDB Entry DOI: 10.7270/Q2SJ1N7N
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50026396 (CHEMBL3331275) Show SMILES Clc1ccc2ncn(CC(=O)NCc3ccco3)c(=O)c2c1 Show InChI InChI=1S/C15H12ClN3O3/c16-10-3-4-13-12(6-10)15(21)19(9-18-13)8-14(20)17-7-11-2-1-5-22-11/h1-6,9H,7-8H2,(H,17,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science - Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant InhA expressed in Escherichia coli BL21 (DE3) using 2-trans-decenoyl substrate by spectrophotome...				Eur J Med Chem 86: 613-27 (2014) Article DOI: 10.1016/j.ejmech.2014.09.028 BindingDB Entry DOI: 10.7270/Q2SJ1N7N
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50026423 (CHEMBL3331282) Show SMILES Cc1nc2ccc(Cl)cc2c(=O)n1CC(=O)NCc1ccco1 Show InChI InChI=1S/C16H14ClN3O3/c1-10-19-14-5-4-11(17)7-13(14)16(22)20(10)9-15(21)18-8-12-3-2-6-23-12/h2-7H,8-9H2,1H3,(H,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science - Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant InhA expressed in Escherichia coli BL21 (DE3) using 2-trans-decenoyl substrate by spectrophotome...				Eur J Med Chem 86: 613-27 (2014) Article DOI: 10.1016/j.ejmech.2014.09.028 BindingDB Entry DOI: 10.7270/Q2SJ1N7N
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50026397 (CHEMBL3331274) Show SMILES FC(F)(F)c1ccc(Cl)c(NC(=O)Cn2cnc3ccc(Cl)cc3c2=O)c1 Show InChI InChI=1S/C17H10Cl2F3N3O2/c18-10-2-4-13-11(6-10)16(27)25(8-23-13)7-15(26)24-14-5-9(17(20,21)22)1-3-12(14)19/h1-6,8H,7H2,(H,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science - Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant InhA expressed in Escherichia coli BL21 (DE3) using 2-trans-decenoyl substrate by spectrophotome...				Eur J Med Chem 86: 613-27 (2014) Article DOI: 10.1016/j.ejmech.2014.09.028 BindingDB Entry DOI: 10.7270/Q2SJ1N7N
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50026427 (CHEMBL3331293) Show SMILES [O-][N+](=O)c1ccc2nc(CNC(=O)Cn3cnc4ccccc4c3=O)sc2c1 Show InChI InChI=1S/C18H13N5O4S/c24-16(9-22-10-20-13-4-2-1-3-12(13)18(22)25)19-8-17-21-14-6-5-11(23(26)27)7-15(14)28-17/h1-7,10H,8-9H2,(H,19,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science - Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant InhA expressed in Escherichia coli BL21 (DE3) using 2-trans-decenoyl substrate by spectrophotome...				Eur J Med Chem 86: 613-27 (2014) Article DOI: 10.1016/j.ejmech.2014.09.028 BindingDB Entry DOI: 10.7270/Q2SJ1N7N
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50099588 (CHEMBL3343866) Show SMILES [O-][N+](=O)c1cnc(NC(=O)Cn2c3ccc(cc3oc2=O)[N+]([O-])=O)s1 Show InChI InChI=1S/C12H7N5O7S/c18-9(14-11-13-4-10(25-11)17(22)23)5-15-7-2-1-6(16(20)21)3-8(7)24-12(15)19/h1-4H,5H2,(H,13,14,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant His6-tagged InhA expressed in Escherichia coli BL21(DE3) using 2-trans-decenoyl-CoA as substrate...				Bioorg Med Chem 22: 6134-45 (2014) Article DOI: 10.1016/j.bmc.2014.08.031 BindingDB Entry DOI: 10.7270/Q2QZ2CQH
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50026424 (CHEMBL3331283) Show SMILES Cc1nc2ccccc2c(=O)n1CC(=O)NCc1cccs1 Show InChI InChI=1S/C16H15N3O2S/c1-11-18-14-7-3-2-6-13(14)16(21)19(11)10-15(20)17-9-12-5-4-8-22-12/h2-8H,9-10H2,1H3,(H,17,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science - Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant InhA expressed in Escherichia coli BL21 (DE3) using 2-trans-decenoyl substrate by spectrophotome...				Eur J Med Chem 86: 613-27 (2014) Article DOI: 10.1016/j.ejmech.2014.09.028 BindingDB Entry DOI: 10.7270/Q2SJ1N7N
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50026428 (CHEMBL3331295) Show SMILES Cc1nc2ccccc2c(=O)n1CC(=O)NCc1nc2ccc(cc2s1)[N+]([O-])=O Show InChI InChI=1S/C19H15N5O4S/c1-11-21-14-5-3-2-4-13(14)19(26)23(11)10-17(25)20-9-18-22-15-7-6-12(24(27)28)8-16(15)29-18/h2-8H,9-10H2,1H3,(H,20,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science - Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant InhA expressed in Escherichia coli BL21 (DE3) using 2-trans-decenoyl substrate by spectrophotome...				Eur J Med Chem 86: 613-27 (2014) Article DOI: 10.1016/j.ejmech.2014.09.028 BindingDB Entry DOI: 10.7270/Q2SJ1N7N
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50026425 (CHEMBL3331284) Show SMILES Cc1nc2ccc(Cl)cc2c(=O)n1CC(=O)NCc1cccs1 Show InChI InChI=1S/C16H14ClN3O2S/c1-10-19-14-5-4-11(17)7-13(14)16(22)20(10)9-15(21)18-8-12-3-2-6-23-12/h2-7H,8-9H2,1H3,(H,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science - Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant InhA expressed in Escherichia coli BL21 (DE3) using 2-trans-decenoyl substrate by spectrophotome...				Eur J Med Chem 86: 613-27 (2014) Article DOI: 10.1016/j.ejmech.2014.09.028 BindingDB Entry DOI: 10.7270/Q2SJ1N7N
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50099584 (CHEMBL3343865) Show SMILES [O-][N+](=O)c1cnc(NC(=O)Cn2c3ccc(Cl)cc3oc2=O)s1 Show InChI InChI=1S/C17H16ClN5/c18-14-5-1-4-13(10-14)17(7-3-8-17)23-16(21-12-19)22-15-6-2-9-20-11-15/h1-2,4-6,9-11H,3,7-8H2,(H2,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	6.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant His6-tagged InhA expressed in Escherichia coli BL21(DE3) using 2-trans-decenoyl-CoA as substrate...				Bioorg Med Chem 22: 6134-45 (2014) Article DOI: 10.1016/j.bmc.2014.08.031 BindingDB Entry DOI: 10.7270/Q2QZ2CQH
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50026422 (CHEMBL3331281) Show SMILES Cc1nc2ccccc2c(=O)n1CC(=O)NCc1ccco1 Show InChI InChI=1S/C16H15N3O3/c1-11-18-14-7-3-2-6-13(14)16(21)19(11)10-15(20)17-9-12-5-4-8-22-12/h2-8H,9-10H2,1H3,(H,17,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science - Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant InhA expressed in Escherichia coli BL21 (DE3) using 2-trans-decenoyl substrate by spectrophotome...				Eur J Med Chem 86: 613-27 (2014) Article DOI: 10.1016/j.ejmech.2014.09.028 BindingDB Entry DOI: 10.7270/Q2SJ1N7N
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50026395 (CHEMBL3331276) Show SMILES Clc1ccc2ncn(CC(=O)NCc3cccs3)c(=O)c2c1 Show InChI InChI=1S/C15H12ClN3O2S/c16-10-3-4-13-12(6-10)15(21)19(9-18-13)8-14(20)17-7-11-2-1-5-22-11/h1-6,9H,7-8H2,(H,17,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science - Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant InhA expressed in Escherichia coli BL21 (DE3) using 2-trans-decenoyl substrate by spectrophotome...				Eur J Med Chem 86: 613-27 (2014) Article DOI: 10.1016/j.ejmech.2014.09.028 BindingDB Entry DOI: 10.7270/Q2SJ1N7N
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50026421 (CHEMBL3331280) Show SMILES Cc1nc2ccc(Cl)cc2c(=O)n1CC(=O)Nc1cc(ccc1Cl)C(C)(F)F Show InChI InChI=1S/C19H15Cl2F2N3O2/c1-10-24-15-6-4-12(20)8-13(15)18(28)26(10)9-17(27)25-16-7-11(19(2,22)23)3-5-14(16)21/h3-8H,9H2,1-2H3,(H,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science - Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant InhA expressed in Escherichia coli BL21 (DE3) using 2-trans-decenoyl substrate by spectrophotome...				Eur J Med Chem 86: 613-27 (2014) Article DOI: 10.1016/j.ejmech.2014.09.028 BindingDB Entry DOI: 10.7270/Q2SJ1N7N
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50099578 (CHEMBL3343869) Show SMILES [O-][N+](=O)c1ccc2n(CC(=O)Nc3nc4ccccc4s3)c(=O)oc2c1 Show InChI InChI=1S/C28H32N4.C2HF3O2/c1-7-17-29-25-15-21-31(27-13-5-3-11-23(25)27)19-9-2-10-20-32-22-16-26(30-18-8-1)24-12-4-6-14-28(24)32;3-2(4,5)1(6)7/h3-6,11-16,21-22H,1-2,7-10,17-20H2;(H,6,7)/p+1/b29-25+,30-26+;	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant His6-tagged InhA expressed in Escherichia coli BL21(DE3) using 2-trans-decenoyl-CoA as substrate...				Bioorg Med Chem 22: 6134-45 (2014) Article DOI: 10.1016/j.bmc.2014.08.031 BindingDB Entry DOI: 10.7270/Q2QZ2CQH
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50026403 (CHEMBL3331272) Show SMILES Clc1ccc2ncn(CC(=O)Nc3ccccc3)c(=O)c2c1 Show InChI InChI=1S/C16H12ClN3O2/c17-11-6-7-14-13(8-11)16(22)20(10-18-14)9-15(21)19-12-4-2-1-3-5-12/h1-8,10H,9H2,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science - Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant InhA expressed in Escherichia coli BL21 (DE3) using 2-trans-decenoyl substrate by spectrophotome...				Eur J Med Chem 86: 613-27 (2014) Article DOI: 10.1016/j.ejmech.2014.09.028 BindingDB Entry DOI: 10.7270/Q2SJ1N7N
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50026400 (CHEMBL3331273) Show SMILES FC(F)(F)c1ccc(Cl)c(NC(=O)Cn2cnc3ccccc3c2=O)c1 Show InChI InChI=1S/C17H11ClF3N3O2/c18-12-6-5-10(17(19,20)21)7-14(12)23-15(25)8-24-9-22-13-4-2-1-3-11(13)16(24)26/h1-7,9H,8H2,(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science - Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant InhA expressed in Escherichia coli BL21 (DE3) using 2-trans-decenoyl substrate by spectrophotome...				Eur J Med Chem 86: 613-27 (2014) Article DOI: 10.1016/j.ejmech.2014.09.028 BindingDB Entry DOI: 10.7270/Q2SJ1N7N
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50099580 (CHEMBL3343858) Show SMILES [O-][N+](=O)c1ccc2n(CC(=O)NCc3ccccn3)c(=O)oc2c1 Show InChI InChI=1S/C21H35N3O.ClH/c1-2-4-19(5-3-1)22-20(24-6-8-25-9-7-24)23-21-13-16-10-17(14-21)12-18(11-16)15-21;/h16-19H,1-15H2,(H,22,23);1H/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant His6-tagged InhA expressed in Escherichia coli BL21(DE3) using 2-trans-decenoyl-CoA as substrate...				Bioorg Med Chem 22: 6134-45 (2014) Article DOI: 10.1016/j.bmc.2014.08.031 BindingDB Entry DOI: 10.7270/Q2QZ2CQH
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50026426 (CHEMBL3331292) Show SMILES Cc1nc2ccc(Cl)cc2c(=O)n1CC(=O)NCc1nc2ccccc2s1 Show InChI InChI=1S/C19H15ClN4O2S/c1-11-22-14-7-6-12(20)8-13(14)19(26)24(11)10-17(25)21-9-18-23-15-4-2-3-5-16(15)27-18/h2-8H,9-10H2,1H3,(H,21,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science - Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant InhA expressed in Escherichia coli BL21 (DE3) using 2-trans-decenoyl substrate by spectrophotome...				Eur J Med Chem 86: 613-27 (2014) Article DOI: 10.1016/j.ejmech.2014.09.028 BindingDB Entry DOI: 10.7270/Q2SJ1N7N
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50099575 (CHEMBL3343868) Show SMILES Clc1ccc2n(CC(=O)Nc3nc4ccccc4s3)c(=O)oc2c1 Show InChI InChI=1S/C16H10ClN3O3S/c17-9-5-6-11-12(7-9)23-16(22)20(11)8-14(21)19-15-18-10-3-1-2-4-13(10)24-15/h1-7H,8H2,(H,18,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant His6-tagged InhA expressed in Escherichia coli BL21(DE3) using 2-trans-decenoyl-CoA as substrate...				Bioorg Med Chem 22: 6134-45 (2014) Article DOI: 10.1016/j.bmc.2014.08.031 BindingDB Entry DOI: 10.7270/Q2QZ2CQH
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50026393 (CHEMBL3331277) Show SMILES Cc1nc2ccccc2c(=O)n1CC(=O)Nc1ccccc1 Show InChI InChI=1S/C17H15N3O2/c1-12-18-15-10-6-5-9-14(15)17(22)20(12)11-16(21)19-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.92E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science - Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant InhA expressed in Escherichia coli BL21 (DE3) using 2-trans-decenoyl substrate by spectrophotome...				Eur J Med Chem 86: 613-27 (2014) Article DOI: 10.1016/j.ejmech.2014.09.028 BindingDB Entry DOI: 10.7270/Q2SJ1N7N
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50026420 (CHEMBL3331279) Show SMILES Cc1nc2ccccc2c(=O)n1CC(=O)Nc1cc(ccc1Cl)C(C)(F)F Show InChI InChI=1S/C19H16ClF2N3O2/c1-11-23-15-6-4-3-5-13(15)18(27)25(11)10-17(26)24-16-9-12(19(2,21)22)7-8-14(16)20/h3-9H,10H2,1-2H3,(H,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science - Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant InhA expressed in Escherichia coli BL21 (DE3) using 2-trans-decenoyl substrate by spectrophotome...				Eur J Med Chem 86: 613-27 (2014) Article DOI: 10.1016/j.ejmech.2014.09.028 BindingDB Entry DOI: 10.7270/Q2SJ1N7N
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50099579 (CHEMBL3343873) Show SMILES Clc1ccc(Cl)c(NC(=O)Cn2c3ccccc3oc2=O)c1 Show InChI InChI=1S/C15H10Cl2N2O3/c16-9-5-6-10(17)11(7-9)18-14(20)8-19-12-3-1-2-4-13(12)22-15(19)21/h1-7H,8H2,(H,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant His6-tagged InhA expressed in Escherichia coli BL21(DE3) using 2-trans-decenoyl-CoA as substrate...				Bioorg Med Chem 22: 6134-45 (2014) Article DOI: 10.1016/j.bmc.2014.08.031 BindingDB Entry DOI: 10.7270/Q2QZ2CQH
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50099571 (CHEMBL1449844) Show SMILES Clc1cccc(NC(=O)Cn2c3ccccc3oc2=O)c1 Show InChI InChI=1S/C15H11ClN2O3/c16-10-4-3-5-11(8-10)17-14(19)9-18-12-6-1-2-7-13(12)21-15(18)20/h1-8H,9H2,(H,17,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant His6-tagged InhA expressed in Escherichia coli BL21(DE3) using 2-trans-decenoyl-CoA as substrate...				Bioorg Med Chem 22: 6134-45 (2014) Article DOI: 10.1016/j.bmc.2014.08.031 BindingDB Entry DOI: 10.7270/Q2QZ2CQH
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50099572 (CHEMBL3343874) Show SMILES Clc1ccc(NC(=O)Cn2c3ccccc3oc2=O)cc1Cl Show InChI InChI=1S/C25H29ClN4O/c1-18-2-5-21(6-3-18)30-17-23(22-16-20(26)4-7-24(22)30)19-8-11-28(12-9-19)14-15-29-13-10-27-25(29)31/h2-7,16-17,19H,8-15H2,1H3,(H,27,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant His6-tagged InhA expressed in Escherichia coli BL21(DE3) using 2-trans-decenoyl-CoA as substrate...				Bioorg Med Chem 22: 6134-45 (2014) Article DOI: 10.1016/j.bmc.2014.08.031 BindingDB Entry DOI: 10.7270/Q2QZ2CQH
					More data for this Ligand-Target Pair