Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with Target = 'Enoyl-ACP reductase (ENR)'   

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 reductase (Plasmodium falciparum)	BDBM8726 (5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...) Show SMILES Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	7.4	n/a
Bombay College of Pharmacy					Assay Description Inhibition assay using pfENR.				Chem Biol Drug Des 81: 715-29 (2013) Article DOI: 10.1111/cbdd.12118 BindingDB Entry DOI: 10.7270/Q2FJ2FDP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-acyl carrier reductase (Plasmodium falciparum)	BDBM97428 (Phenylaminoacetic acid benzylidene hydrazine analo...) Show SMILES Clc1cccc(NCC(=O)N\N=C\c2cccc(Br)c2)c1 Show InChI InChI=1S/C15H13BrClN3O/c16-12-4-1-3-11(7-12)9-19-20-15(21)10-18-14-6-2-5-13(17)8-14/h1-9,18H,10H2,(H,20,21)/b19-9+	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.63E+5	n/a	n/a	n/a	n/a	7.4	n/a
Bombay College of Pharmacy					Assay Description Inhibition assay using pfENR.				Chem Biol Drug Des 81: 715-29 (2013) Article DOI: 10.1111/cbdd.12118 BindingDB Entry DOI: 10.7270/Q2FJ2FDP
					More data for this Ligand-Target Pair
Enoyl-acyl carrier reductase (Plasmodium falciparum)	BDBM97410 (Phenylaminoacetic acid benzylidene hydrazine analo...) Show SMILES COc1ccc(\C=N\NC(=O)CNc2ccccc2)cc1OC Show InChI InChI=1S/C17H19N3O3/c1-22-15-9-8-13(10-16(15)23-2)11-19-20-17(21)12-18-14-6-4-3-5-7-14/h3-11,18H,12H2,1-2H3,(H,20,21)/b19-11+	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.59E+5	n/a	n/a	n/a	n/a	7.4	n/a
Bombay College of Pharmacy					Assay Description Inhibition assay using pfENR.				Chem Biol Drug Des 81: 715-29 (2013) Article DOI: 10.1111/cbdd.12118 BindingDB Entry DOI: 10.7270/Q2FJ2FDP
					More data for this Ligand-Target Pair
Enoyl-acyl carrier reductase (Plasmodium falciparum)	BDBM97411 (Phenylaminoacetic acid benzylidene hydrazine analo...) Show SMILES COc1ccc(\C=N\NC(=O)CNc2ccc(Cl)cc2)cc1OC Show InChI InChI=1S/C17H18ClN3O3/c1-23-15-8-3-12(9-16(15)24-2)10-20-21-17(22)11-19-14-6-4-13(18)5-7-14/h3-10,19H,11H2,1-2H3,(H,21,22)/b20-10+	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.43E+5	n/a	n/a	n/a	n/a	7.4	n/a
Bombay College of Pharmacy					Assay Description Inhibition assay using pfENR.				Chem Biol Drug Des 81: 715-29 (2013) Article DOI: 10.1111/cbdd.12118 BindingDB Entry DOI: 10.7270/Q2FJ2FDP
					More data for this Ligand-Target Pair
Enoyl-acyl carrier reductase (Plasmodium falciparum)	BDBM97412 (Phenylaminoacetic acid benzylidene hydrazine analo...) Show SMILES Clc1ccc(NCC(=O)N\N=C\c2ccccc2)cc1 Show InChI InChI=1S/C15H14ClN3O/c16-13-6-8-14(9-7-13)17-11-15(20)19-18-10-12-4-2-1-3-5-12/h1-10,17H,11H2,(H,19,20)/b18-10+	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	7.4	n/a
Bombay College of Pharmacy					Assay Description Inhibition assay using pfENR.				Chem Biol Drug Des 81: 715-29 (2013) Article DOI: 10.1111/cbdd.12118 BindingDB Entry DOI: 10.7270/Q2FJ2FDP
					More data for this Ligand-Target Pair
Enoyl-acyl carrier reductase (Plasmodium falciparum)	BDBM97413 (Phenylaminoacetic acid benzylidene hydrazine analo...) Show SMILES Oc1ccccc1\C=N\NC(=O)CNc1ccc(F)cc1 Show InChI InChI=1S/C15H14FN3O2/c16-12-5-7-13(8-6-12)17-10-15(21)19-18-9-11-3-1-2-4-14(11)20/h1-9,17,20H,10H2,(H,19,21)/b18-9+	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	7.4	n/a
Bombay College of Pharmacy					Assay Description Inhibition assay using pfENR.				Chem Biol Drug Des 81: 715-29 (2013) Article DOI: 10.1111/cbdd.12118 BindingDB Entry DOI: 10.7270/Q2FJ2FDP
					More data for this Ligand-Target Pair
Enoyl-acyl carrier reductase (Plasmodium falciparum)	BDBM97414 (Phenylaminoacetic acid benzylidene hydrazine analo...) Show SMILES CN(C)c1ccc(\C=N\NC(=O)CNc2ccc(F)cc2)cc1 Show InChI InChI=1S/C17H19FN4O/c1-22(2)16-9-3-13(4-10-16)11-20-21-17(23)12-19-15-7-5-14(18)6-8-15/h3-11,19H,12H2,1-2H3,(H,21,23)/b20-11+	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	7.4	n/a
Bombay College of Pharmacy					Assay Description Inhibition assay using pfENR.				Chem Biol Drug Des 81: 715-29 (2013) Article DOI: 10.1111/cbdd.12118 BindingDB Entry DOI: 10.7270/Q2FJ2FDP
					More data for this Ligand-Target Pair
Enoyl-acyl carrier reductase (Plasmodium falciparum)	BDBM97415 (Phenylaminoacetic acid benzylidene hydrazine analo...) Show SMILES O=C(CNc1ccccc1)N\N=C\c1ccccc1 Show InChI InChI=1S/C15H15N3O/c19-15(12-16-14-9-5-2-6-10-14)18-17-11-13-7-3-1-4-8-13/h1-11,16H,12H2,(H,18,19)/b17-11+	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.97E+5	n/a	n/a	n/a	n/a	7.4	n/a
Bombay College of Pharmacy					Assay Description Inhibition assay using pfENR.				Chem Biol Drug Des 81: 715-29 (2013) Article DOI: 10.1111/cbdd.12118 BindingDB Entry DOI: 10.7270/Q2FJ2FDP
					More data for this Ligand-Target Pair
Enoyl-acyl carrier reductase (Plasmodium falciparum)	BDBM97416 (Phenylaminoacetic acid benzylidene hydrazine analo...) Show SMILES Brc1cccc(\C=N\NC(=O)CNc2ccccc2)c1 Show InChI InChI=1S/C15H14BrN3O/c16-13-6-4-5-12(9-13)10-18-19-15(20)11-17-14-7-2-1-3-8-14/h1-10,17H,11H2,(H,19,20)/b18-10+	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+4	n/a	n/a	n/a	n/a	7.4	n/a
Bombay College of Pharmacy					Assay Description Inhibition assay using pfENR.				Chem Biol Drug Des 81: 715-29 (2013) Article DOI: 10.1111/cbdd.12118 BindingDB Entry DOI: 10.7270/Q2FJ2FDP
					More data for this Ligand-Target Pair
Enoyl-acyl carrier reductase (Plasmodium falciparum)	BDBM97417 (Phenylaminoacetic acid benzylidene hydrazine analo...) Show SMILES Oc1ccccc1\C=N\NC(=O)CNc1ccccc1 Show InChI InChI=1S/C15H15N3O2/c19-14-9-5-4-6-12(14)10-17-18-15(20)11-16-13-7-2-1-3-8-13/h1-10,16,19H,11H2,(H,18,20)/b17-10+	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.85E+5	n/a	n/a	n/a	n/a	7.4	n/a
Bombay College of Pharmacy					Assay Description Inhibition assay using pfENR.				Chem Biol Drug Des 81: 715-29 (2013) Article DOI: 10.1111/cbdd.12118 BindingDB Entry DOI: 10.7270/Q2FJ2FDP
					More data for this Ligand-Target Pair
Enoyl-acyl carrier reductase (Plasmodium falciparum)	BDBM97418 (Phenylaminoacetic acid benzylidene hydrazine analo...) Show SMILES CN(C)c1ccc(\C=N\NC(=O)CNc2ccccc2)cc1 Show InChI InChI=1S/C17H20N4O/c1-21(2)16-10-8-14(9-11-16)12-19-20-17(22)13-18-15-6-4-3-5-7-15/h3-12,18H,13H2,1-2H3,(H,20,22)/b19-12+	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.68E+5	n/a	n/a	n/a	n/a	7.4	n/a
Bombay College of Pharmacy					Assay Description Inhibition assay using pfENR.				Chem Biol Drug Des 81: 715-29 (2013) Article DOI: 10.1111/cbdd.12118 BindingDB Entry DOI: 10.7270/Q2FJ2FDP
					More data for this Ligand-Target Pair
Enoyl-acyl carrier reductase (Plasmodium falciparum)	BDBM97419 (Phenylaminoacetic acid benzylidene hydrazine analo...) Show SMILES Oc1ccccc1\C=N\NC(=O)CNc1cccc(F)c1Cl Show InChI InChI=1S/C15H13ClFN3O2/c16-15-11(17)5-3-6-12(15)18-9-14(22)20-19-8-10-4-1-2-7-13(10)21/h1-8,18,21H,9H2,(H,20,22)/b19-8+	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.55E+5	n/a	n/a	n/a	n/a	7.4	n/a
Bombay College of Pharmacy					Assay Description Inhibition assay using pfENR.				Chem Biol Drug Des 81: 715-29 (2013) Article DOI: 10.1111/cbdd.12118 BindingDB Entry DOI: 10.7270/Q2FJ2FDP
					More data for this Ligand-Target Pair
Enoyl-acyl carrier reductase (Plasmodium falciparum)	BDBM97420 (Phenylaminoacetic acid benzylidene hydrazine analo...) Show SMILES Fc1cccc(NCC(=O)N\N=C\c2ccccc2)c1Cl Show InChI InChI=1S/C15H13ClFN3O/c16-15-12(17)7-4-8-13(15)18-10-14(21)20-19-9-11-5-2-1-3-6-11/h1-9,18H,10H2,(H,20,21)/b19-9+	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.63E+5	n/a	n/a	n/a	n/a	7.4	n/a
Bombay College of Pharmacy					Assay Description Inhibition assay using pfENR.				Chem Biol Drug Des 81: 715-29 (2013) Article DOI: 10.1111/cbdd.12118 BindingDB Entry DOI: 10.7270/Q2FJ2FDP
					More data for this Ligand-Target Pair
Enoyl-acyl carrier reductase (Plasmodium falciparum)	BDBM97421 (Phenylaminoacetic acid benzylidene hydrazine analo...) Show SMILES Fc1cccc(NCC(=O)N\N=C\c2ccccc2Cl)c1Cl Show InChI InChI=1S/C15H12Cl2FN3O/c16-11-5-2-1-4-10(11)8-20-21-14(22)9-19-13-7-3-6-12(18)15(13)17/h1-8,19H,9H2,(H,21,22)/b20-8+	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	7.4	n/a
Bombay College of Pharmacy					Assay Description Inhibition assay using pfENR.				Chem Biol Drug Des 81: 715-29 (2013) Article DOI: 10.1111/cbdd.12118 BindingDB Entry DOI: 10.7270/Q2FJ2FDP
					More data for this Ligand-Target Pair
Enoyl-acyl carrier reductase (Plasmodium falciparum)	BDBM97422 (Phenylaminoacetic acid benzylidene hydrazine analo...) Show SMILES Fc1cccc(NCC(=O)N\N=C\c2cccc(Br)c2)c1Cl Show InChI InChI=1S/C15H12BrClFN3O/c16-11-4-1-3-10(7-11)8-20-21-14(22)9-19-13-6-2-5-12(18)15(13)17/h1-8,19H,9H2,(H,21,22)/b20-8+	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.29E+5	n/a	n/a	n/a	n/a	7.4	n/a
Bombay College of Pharmacy					Assay Description Inhibition assay using pfENR.				Chem Biol Drug Des 81: 715-29 (2013) Article DOI: 10.1111/cbdd.12118 BindingDB Entry DOI: 10.7270/Q2FJ2FDP
					More data for this Ligand-Target Pair
Enoyl-acyl carrier reductase (Plasmodium falciparum)	BDBM97423 (Phenylaminoacetic acid benzylidene hydrazine analo...) Show SMILES Oc1ccccc1\C=N\NC(=O)CNc1ccc(Cl)cc1 Show InChI InChI=1S/C15H14ClN3O2/c16-12-5-7-13(8-6-12)17-10-15(21)19-18-9-11-3-1-2-4-14(11)20/h1-9,17,20H,10H2,(H,19,21)/b18-9+	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.64E+5	n/a	n/a	n/a	n/a	7.4	n/a
Bombay College of Pharmacy					Assay Description Inhibition assay using pfENR.				Chem Biol Drug Des 81: 715-29 (2013) Article DOI: 10.1111/cbdd.12118 BindingDB Entry DOI: 10.7270/Q2FJ2FDP
					More data for this Ligand-Target Pair
Enoyl-acyl carrier reductase (Plasmodium falciparum)	BDBM97424 (Phenylaminoacetic acid benzylidene hydrazine analo...) Show SMILES Clc1ccc(NCC(=O)N\N=C\c2cccc(Br)c2)cc1 Show InChI InChI=1S/C15H13BrClN3O/c16-12-3-1-2-11(8-12)9-19-20-15(21)10-18-14-6-4-13(17)5-7-14/h1-9,18H,10H2,(H,20,21)/b19-9+	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	7.4	n/a
Bombay College of Pharmacy					Assay Description Inhibition assay using pfENR.				Chem Biol Drug Des 81: 715-29 (2013) Article DOI: 10.1111/cbdd.12118 BindingDB Entry DOI: 10.7270/Q2FJ2FDP
					More data for this Ligand-Target Pair
Enoyl-acyl carrier reductase (Plasmodium falciparum)	BDBM97425 (Phenylaminoacetic acid benzylidene hydrazine analo...) Show SMILES Fc1ccc(NCC(=O)N\N=C\c2ccccc2Cl)cc1 Show InChI InChI=1S/C15H13ClFN3O/c16-14-4-2-1-3-11(14)9-19-20-15(21)10-18-13-7-5-12(17)6-8-13/h1-9,18H,10H2,(H,20,21)/b19-9+	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.63E+5	n/a	n/a	n/a	n/a	7.4	n/a
Bombay College of Pharmacy					Assay Description Inhibition assay using pfENR.				Chem Biol Drug Des 81: 715-29 (2013) Article DOI: 10.1111/cbdd.12118 BindingDB Entry DOI: 10.7270/Q2FJ2FDP
					More data for this Ligand-Target Pair
Enoyl-acyl carrier reductase (Plasmodium falciparum)	BDBM97426 (Phenylaminoacetic acid benzylidene hydrazine analo...) Show SMILES Clc1cccc(NCC(=O)N\N=C\c2ccccc2)c1 Show InChI InChI=1S/C15H14ClN3O/c16-13-7-4-8-14(9-13)17-11-15(20)19-18-10-12-5-2-1-3-6-12/h1-10,17H,11H2,(H,19,20)/b18-10+	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.73E+5	n/a	n/a	n/a	n/a	7.4	n/a
Bombay College of Pharmacy					Assay Description Inhibition assay using pfENR.				Chem Biol Drug Des 81: 715-29 (2013) Article DOI: 10.1111/cbdd.12118 BindingDB Entry DOI: 10.7270/Q2FJ2FDP
					More data for this Ligand-Target Pair
Enoyl-acyl carrier reductase (Plasmodium falciparum)	BDBM97427 (Phenylaminoacetic acid benzylidene hydrazine analo...) Show SMILES Clc1cccc(NCC(=O)N\N=C\c2ccccc2Cl)c1 Show InChI InChI=1S/C15H13Cl2N3O/c16-12-5-3-6-13(8-12)18-10-15(21)20-19-9-11-4-1-2-7-14(11)17/h1-9,18H,10H2,(H,20,21)/b19-9+	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.70E+4	n/a	n/a	n/a	n/a	7.4	n/a
Bombay College of Pharmacy					Assay Description Inhibition assay using pfENR.				Chem Biol Drug Des 81: 715-29 (2013) Article DOI: 10.1111/cbdd.12118 BindingDB Entry DOI: 10.7270/Q2FJ2FDP
					More data for this Ligand-Target Pair
Enoyl-acyl carrier reductase (Plasmodium falciparum)	BDBM97409 (Phenylaminoacetic acid benzylidene hydrazine analo...) Show SMILES Clc1ccccc1\C=N\NC(=O)CNc1ccccc1 Show InChI InChI=1S/C15H14ClN3O/c16-14-9-5-4-6-12(14)10-18-19-15(20)11-17-13-7-2-1-3-8-13/h1-10,17H,11H2,(H,19,20)/b18-10+	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+4	n/a	n/a	n/a	n/a	7.4	n/a
Bombay College of Pharmacy					Assay Description Inhibition assay using pfENR.				Chem Biol Drug Des 81: 715-29 (2013) Article DOI: 10.1111/cbdd.12118 BindingDB Entry DOI: 10.7270/Q2FJ2FDP
					More data for this Ligand-Target Pair