Compile Data Set for Download or QSAR

Found 153 hits with Last Name = 'de montellano' and Initial = 'pr'   

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
Mas-related G-protein coupled receptor member X1 (Mus musculus)	BDBM50497119 (CHEMBL3273674) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6](/[#6])-[#6]-[#8]P([#8])(=O)[#8]P([#8])([#8])=O Show InChI InChI=1S/C16H30O7P2/c1-13(2)8-6-9-14(3)10-7-11-15(4)16(5)12-22-25(20,21)23-24(17,18)19/h8,10H,6-7,9,11-12H2,1-5H3,(H,20,21)(H2,17,18,19)/b14-10+,16-15+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of Baker's yeast squalene synthetase using [1-3H]farnesyl pyrophosphate as substrate by Lineweaver-Burk graphic analysis				J Med Chem 20: 243-9 (1977) Article DOI: 10.1021/jm00212a011 BindingDB Entry DOI: 10.7270/Q2M32ZRF
					More data for this Ligand-Target Pair
Cytochrome P450 4A4 (Oryctolagus cuniculus)	BDBM50047304 (12-Hydroxy-heptadec-16-ynoic acid | CHEMBL33390) Show SMILES O[C@@H](CCCCCCCCCCC(O)=O)CCCC#C Show InChI InChI=1S/C17H30O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h1,16,18H,3-15H2,(H,19,20)/t16-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inactivation of prostaglandin E1 omega-hydroxylase (Cytochrome P450 4A4) in rabbit lung				J Med Chem 36: 1418-24 (1993) BindingDB Entry DOI: 10.7270/Q2Q52NQW
					More data for this Ligand-Target Pair
Cytochrome P450 4A4 (Oryctolagus cuniculus)	BDBM50047307 (12-Hydroxy-heptadec-16-ynoic acid | CHEMBL33875) Show SMILES O[C@H](CCCCCCCCCCC(O)=O)CCCC#C Show InChI InChI=1S/C17H30O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h1,16,18H,3-15H2,(H,19,20)/t16-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inactivation of prostaglandin E1 omega-hydroxylase (Cytochrome P450 4A4) in rabbit lung				J Med Chem 36: 1418-24 (1993) BindingDB Entry DOI: 10.7270/Q2Q52NQW
					More data for this Ligand-Target Pair
Cytochrome P450 4A4 (Oryctolagus cuniculus)	BDBM50047305 (12-Hydroxy-heptadec-16-ynoic acid | CHEMBL29370) Show SMILES OC(CCCCCCCCCCC(O)=O)CCCC#C Show InChI InChI=1S/C17H30O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h1,16,18H,3-15H2,(H,19,20)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inactivation of prostaglandin E1 omega-hydroxylase (Cytochrome P450 4A4) in rabbit lung				J Med Chem 36: 1418-24 (1993) BindingDB Entry DOI: 10.7270/Q2Q52NQW
					More data for this Ligand-Target Pair
Cytochrome P450 4A4 (Oryctolagus cuniculus)	BDBM50047306 (12-Hydroxy-2,2-dimethyl-heptadec-16-ynoic acid | C...) Show SMILES CC(C)(CCCCCCCCCC(O)CCCC#C)C(O)=O Show InChI InChI=1S/C19H34O3/c1-4-5-11-14-17(20)15-12-9-7-6-8-10-13-16-19(2,3)18(21)22/h1,17,20H,5-16H2,2-3H3,(H,21,22)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inactivation of prostaglandin E1 omega-hydroxylase (Cytochrome P450 4A4) in rabbit lung				J Med Chem 36: 1418-24 (1993) BindingDB Entry DOI: 10.7270/Q2Q52NQW
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM25795 (1-benzoyl-4-(9H-fluoren-9-yl)piperazine | piperazi...) Show SMILES O=C(N1CCN(CC1)C1c2ccccc2-c2ccccc12)c1ccccc1 Show InChI InChI=1S/C24H22N2O/c27-24(18-8-2-1-3-9-18)26-16-14-25(15-17-26)23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,23H,14-17H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	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 (docked)
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM15709 (1-Cyclohexyl-N-(3,5-diphenyl-4-hydroxyl)phenyl-5-o...) Show SMILES Oc1c(cc(NC(=O)C2CN(C3CCCCC3)C(=O)C2)cc1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C29H30N2O3/c32-27-16-22(19-31(27)24-14-8-3-9-15-24)29(34)30-23-17-25(20-10-4-1-5-11-20)28(33)26(18-23)21-12-6-2-7-13-21/h1-2,4-7,10-13,17-18,22,24,33H,3,8-9,14-16,19H2,(H,30,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Francisco					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 ...				J Med Chem 49: 6308-23 (2006) Article DOI: 10.1021/jm060715y BindingDB Entry DOI: 10.7270/Q2707ZP0
					More data for this Ligand-Target Pair
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)
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM15712 (N-((Anthracen-9-yl)methyl)-1-cyclooctyl-N-methyl-5...) Show SMILES CN(Cc1c2ccccc2cc2ccccc12)C(=O)C1CN(C2CCCCCCC2)C(=O)C1 Show InChI InChI=1S/C29H34N2O2/c1-30(20-27-25-15-9-7-11-21(25)17-22-12-8-10-16-26(22)27)29(33)23-18-28(32)31(19-23)24-13-5-3-2-4-6-14-24/h7-12,15-17,23-24H,2-6,13-14,18-20H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Francisco					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 ...				J Med Chem 49: 6308-23 (2006) Article DOI: 10.1021/jm060715y BindingDB Entry DOI: 10.7270/Q2707ZP0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM15711 (1-Cycloheptyl-N-(3,5-diphenyl-4-hydroxyl)phenyl-5-...) Show SMILES Oc1c(cc(NC(=O)C2CN(C3CCCCCC3)C(=O)C2)cc1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C30H32N2O3/c33-28-17-23(20-32(28)25-15-9-1-2-10-16-25)30(35)31-24-18-26(21-11-5-3-6-12-21)29(34)27(19-24)22-13-7-4-8-14-22/h3-8,11-14,18-19,23,25,34H,1-2,9-10,15-17,20H2,(H,31,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Francisco					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 ...				J Med Chem 49: 6308-23 (2006) Article DOI: 10.1021/jm060715y BindingDB Entry DOI: 10.7270/Q2707ZP0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM15677 (1-cyclohexyl-N-(3,5-dichlorophenyl)-5-oxopyrrolidi...) Show SMILES Clc1cc(Cl)cc(NC(=O)C2CN(C3CCCCC3)C(=O)C2)c1 Show InChI InChI=1S/C17H20Cl2N2O2/c18-12-7-13(19)9-14(8-12)20-17(23)11-6-16(22)21(10-11)15-4-2-1-3-5-15/h7-9,11,15H,1-6,10H2,(H,20,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Francisco					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 ...				J Med Chem 49: 6308-23 (2006) Article DOI: 10.1021/jm060715y BindingDB Entry DOI: 10.7270/Q2707ZP0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM15685 (1-Cyclohexyl-N-(3-phenylphenyl)-5-oxopyrrolidine-3...) Show SMILES O=C(Nc1cccc(c1)-c1ccccc1)C1CN(C2CCCCC2)C(=O)C1 Show InChI InChI=1S/C23H26N2O2/c26-22-15-19(16-25(22)21-12-5-2-6-13-21)23(27)24-20-11-7-10-18(14-20)17-8-3-1-4-9-17/h1,3-4,7-11,14,19,21H,2,5-6,12-13,15-16H2,(H,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Francisco					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 ...				J Med Chem 49: 6308-23 (2006) Article DOI: 10.1021/jm060715y BindingDB Entry DOI: 10.7270/Q2707ZP0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM25794 (1-(9H-fluoren-9-yl)-4-[(4-methylphenyl)carbonyl]pi...) Show SMILES Cc1ccc(cc1)C(=O)N1CCN(CC1)C1c2ccccc2-c2ccccc12 Show InChI InChI=1S/C25H24N2O/c1-18-10-12-19(13-11-18)25(28)27-16-14-26(15-17-27)24-22-8-4-2-6-20(22)21-7-3-5-9-23(21)24/h2-13,24H,14-17H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	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 (docked)
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM15686 (N-(3-benzylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3...) Show SMILES O=C(Nc1cccc(Cc2ccccc2)c1)C1CN(C2CCCCC2)C(=O)C1 Show InChI InChI=1S/C24H28N2O2/c27-23-16-20(17-26(23)22-12-5-2-6-13-22)24(28)25-21-11-7-10-19(15-21)14-18-8-3-1-4-9-18/h1,3-4,7-11,15,20,22H,2,5-6,12-14,16-17H2,(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Francisco					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 ...				J Med Chem 49: 6308-23 (2006) Article DOI: 10.1021/jm060715y BindingDB Entry DOI: 10.7270/Q2707ZP0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM15708 (N-((Anthracen-9-yl)methyl)-1-(bicyclo[2.2.1]heptan...) Show SMILES CN(Cc1c2ccccc2cc2ccccc12)C(=O)C1CN(C2CC3CCC2C3)C(=O)C1 |THB:21:22:25.26:28| Show InChI InChI=1S/C28H30N2O2/c1-29(17-25-23-8-4-2-6-19(23)14-20-7-3-5-9-24(20)25)28(32)22-15-27(31)30(16-22)26-13-18-10-11-21(26)12-18/h2-9,14,18,21-22,26H,10-13,15-17H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Francisco					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 ...				J Med Chem 49: 6308-23 (2006) Article DOI: 10.1021/jm060715y BindingDB Entry DOI: 10.7270/Q2707ZP0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM15710 (N-((Anthracen-9-yl)methyl)-1-cycloheptyl-N-methyl-...) Show SMILES CN(Cc1c2ccccc2cc2ccccc12)C(=O)C1CN(C2CCCCCC2)C(=O)C1 Show InChI InChI=1S/C28H32N2O2/c1-29(28(32)22-17-27(31)30(18-22)23-12-4-2-3-5-13-23)19-26-24-14-8-6-10-20(24)16-21-11-7-9-15-25(21)26/h6-11,14-16,22-23H,2-5,12-13,17-19H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Francisco					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 ...				J Med Chem 49: 6308-23 (2006) Article DOI: 10.1021/jm060715y BindingDB Entry DOI: 10.7270/Q2707ZP0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM15687 (N-((Anthracen-9-yl)methyl)-1-cyclohexyl-N-methyl-5...) Show SMILES CN(Cc1c2ccccc2cc2ccccc12)C(=O)C1CN(C2CCCCC2)C(=O)C1 Show InChI InChI=1S/C27H30N2O2/c1-28(27(31)21-16-26(30)29(17-21)22-11-3-2-4-12-22)18-25-23-13-7-5-9-19(23)15-20-10-6-8-14-24(20)25/h5-10,13-15,21-22H,2-4,11-12,16-18H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Francisco					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 ...				J Med Chem 49: 6308-23 (2006) Article DOI: 10.1021/jm060715y BindingDB Entry DOI: 10.7270/Q2707ZP0
					More data for this Ligand-Target Pair
Camphor 5-monooxygenase (Pseudomonas putida)	BDBM50149348 (1-(2-Ethyl-butyl)-1H-imidazole | CHEMBL330775) Show SMILES CCC(CC)Cn1ccnc1 Show InChI InChI=1S/C9H16N2/c1-3-9(4-2)7-11-6-5-10-8-11/h5-6,8-9H,3-4,7H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of wild type cytochrome P450cam expressed in Escherichia coli				J Med Chem 47: 3572-9 (2004) Article DOI: 10.1021/jm030608t BindingDB Entry DOI: 10.7270/Q20R9NVP
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM15707 (1-(Bicyclo[2.2.1]heptan-2-yl)-5-oxo-N-(3-phenylphe...) Show SMILES O=C(Nc1cccc(c1)-c1ccccc1)C1CN(C2CC3CCC2C3)C(=O)C1 |THB:17:18:21.22:24| Show InChI InChI=1S/C24H26N2O2/c27-23-14-20(15-26(23)22-12-16-9-10-19(22)11-16)24(28)25-21-8-4-7-18(13-21)17-5-2-1-3-6-17/h1-8,13,16,19-20,22H,9-12,14-15H2,(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	845	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Francisco					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 ...				J Med Chem 49: 6308-23 (2006) Article DOI: 10.1021/jm060715y BindingDB Entry DOI: 10.7270/Q2707ZP0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM15678 (N-(3-Bromo-5-(trifluoromethyl)phenyl)-1-cyclohexyl...) Show SMILES FC(F)(F)c1cc(Br)cc(NC(=O)C2CN(C3CCCCC3)C(=O)C2)c1 Show InChI InChI=1S/C18H20BrF3N2O2/c19-13-7-12(18(20,21)22)8-14(9-13)23-17(26)11-6-16(25)24(10-11)15-4-2-1-3-5-15/h7-9,11,15H,1-6,10H2,(H,23,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Francisco					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 ...				J Med Chem 49: 6308-23 (2006) Article DOI: 10.1021/jm060715y BindingDB Entry DOI: 10.7270/Q2707ZP0
					More data for this Ligand-Target Pair				3D Structure (docked)
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM15651 (N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-...) Show SMILES Brc1cccc(NC(=O)C2CN(C3CCCCC3)C(=O)C2)c1 Show InChI InChI=1S/C17H21BrN2O2/c18-13-5-4-6-14(10-13)19-17(22)12-9-16(21)20(11-12)15-7-2-1-3-8-15/h4-6,10,12,15H,1-3,7-9,11H2,(H,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	890	n/a	n/a	n/a	n/a	6.8	23
University of California at San Francisco					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 ...				J Med Chem 49: 6308-23 (2006) Article DOI: 10.1021/jm060715y BindingDB Entry DOI: 10.7270/Q2707ZP0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM15669 (N-(5-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrr...) Show SMILES Cc1ccc(Cl)cc1NC(=O)C1CN(C2CCCCC2)C(=O)C1 Show InChI InChI=1S/C18H23ClN2O2/c1-12-7-8-14(19)10-16(12)20-18(23)13-9-17(22)21(11-13)15-5-3-2-4-6-15/h7-8,10,13,15H,2-6,9,11H2,1H3,(H,20,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	970	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Francisco					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 ...				J Med Chem 49: 6308-23 (2006) Article DOI: 10.1021/jm060715y BindingDB Entry DOI: 10.7270/Q2707ZP0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM25778 (1-(3-chlorophenyl)-4-[(3,4-dimethylphenyl)carbonyl...) Show SMILES Cc1ccc(cc1C)C(=O)N1CCN(CC1)c1cccc(Cl)c1 Show InChI InChI=1S/C19H21ClN2O/c1-14-6-7-16(12-15(14)2)19(23)22-10-8-21(9-11-22)18-5-3-4-17(20)13-18/h3-7,12-13H,8-11H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	990	n/a	n/a	n/a	n/a	6.8	23
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
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM25797 (5-({4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}ca...) Show SMILES Fc1ccc(cc1)C(N1CCN(CC1)C(=O)c1ccc2[nH]ccc2c1)c1ccc(F)cc1 Show InChI InChI=1S/C26H23F2N3O/c27-22-6-1-18(2-7-22)25(19-3-8-23(28)9-4-19)30-13-15-31(16-14-30)26(32)21-5-10-24-20(17-21)11-12-29-24/h1-12,17,25,29H,13-16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.04E+3	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 (docked)
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM15713 (1-Cyclooctyl-N-(3,5-diphenyl-4-hydroxyl)phenyl-5-o...) Show SMILES Oc1c(cc(NC(=O)C2CN(C3CCCCCCC3)C(=O)C2)cc1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C31H34N2O3/c34-29-18-24(21-33(29)26-16-10-2-1-3-11-17-26)31(36)32-25-19-27(22-12-6-4-7-13-22)30(35)28(20-25)23-14-8-5-9-15-23/h4-9,12-15,19-20,24,26,35H,1-3,10-11,16-18,21H2,(H,32,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Francisco					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 ...				J Med Chem 49: 6308-23 (2006) Article DOI: 10.1021/jm060715y BindingDB Entry DOI: 10.7270/Q2707ZP0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM15679 (1-Cyclohexyl-N-(3-(trifluoromethyl)-5-methoxypheny...) Show SMILES COc1cc(NC(=O)C2CN(C3CCCCC3)C(=O)C2)cc(c1)C(F)(F)F Show InChI InChI=1S/C19H23F3N2O3/c1-27-16-9-13(19(20,21)22)8-14(10-16)23-18(26)12-7-17(25)24(11-12)15-5-3-2-4-6-15/h8-10,12,15H,2-7,11H2,1H3,(H,23,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Francisco					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 ...				J Med Chem 49: 6308-23 (2006) Article DOI: 10.1021/jm060715y BindingDB Entry DOI: 10.7270/Q2707ZP0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM15653 (N-(3-chlorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3...) Show SMILES Clc1cccc(NC(=O)C2CN(C3CCCCC3)C(=O)C2)c1 Show InChI InChI=1S/C17H21ClN2O2/c18-13-5-4-6-14(10-13)19-17(22)12-9-16(21)20(11-12)15-7-2-1-3-8-15/h4-6,10,12,15H,1-3,7-9,11H2,(H,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.35E+3	n/a	n/a	n/a	n/a	6.8	23
University of California at San Francisco					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 ...				J Med Chem 49: 6308-23 (2006) Article DOI: 10.1021/jm060715y BindingDB Entry DOI: 10.7270/Q2707ZP0
					More data for this Ligand-Target Pair				3D Structure (docked)
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM15688 (1-Cyclohexyl-N-(9H-fluoren-1-yl)-5-oxopyrrolidine-...) Show SMILES O=C(Nc1cccc-2c1Cc1ccccc-21)C1CN(C2CCCCC2)C(=O)C1 Show InChI InChI=1S/C24H26N2O2/c27-23-14-17(15-26(23)18-8-2-1-3-9-18)24(28)25-22-12-6-11-20-19-10-5-4-7-16(19)13-21(20)22/h4-7,10-12,17-18H,1-3,8-9,13-15H2,(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Francisco					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 ...				J Med Chem 49: 6308-23 (2006) Article DOI: 10.1021/jm060715y BindingDB Entry DOI: 10.7270/Q2707ZP0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM15676 (1-Cyclohexyl-N-(3,5-difluorophenyl)-5-oxopyrrolidi...) Show SMILES Fc1cc(F)cc(NC(=O)C2CN(C3CCCCC3)C(=O)C2)c1 Show InChI InChI=1S/C17H20F2N2O2/c18-12-7-13(19)9-14(8-12)20-17(23)11-6-16(22)21(10-11)15-4-2-1-3-5-15/h7-9,11,15H,1-6,10H2,(H,20,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Francisco					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 ...				J Med Chem 49: 6308-23 (2006) Article DOI: 10.1021/jm060715y BindingDB Entry DOI: 10.7270/Q2707ZP0
					More data for this Ligand-Target Pair				3D Structure (docked)
Camphor 5-monooxygenase (Pseudomonas putida)	BDBM50149352 (1-Cyclohexylmethyl-1H-imidazole | CHEMBL120057) Show SMILES C(C1CCCCC1)n1ccnc1 Show InChI InChI=1S/C10H16N2/c1-2-4-10(5-3-1)8-12-7-6-11-9-12/h6-7,9-10H,1-5,8H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of wild type cytochrome P450cam expressed in Escherichia coli				J Med Chem 47: 3572-9 (2004) Article DOI: 10.1021/jm030608t BindingDB Entry DOI: 10.7270/Q20R9NVP
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM15681 (N-(5-chloro-2-methoxyphenyl)-1-cyclohexyl-5-oxopyr...) Show SMILES COc1ccc(Cl)cc1NC(=O)C1CN(C2CCCCC2)C(=O)C1 Show InChI InChI=1S/C18H23ClN2O3/c1-24-16-8-7-13(19)10-15(16)20-18(23)12-9-17(22)21(11-12)14-5-3-2-4-6-14/h7-8,10,12,14H,2-6,9,11H2,1H3,(H,20,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Francisco					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 ...				J Med Chem 49: 6308-23 (2006) Article DOI: 10.1021/jm060715y BindingDB Entry DOI: 10.7270/Q2707ZP0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM25779 (1-[(3,4-dimethylphenyl)carbonyl]-4-[3-(trifluorome...) Show SMILES Cc1ccc(cc1C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C20H21F3N2O/c1-14-6-7-16(12-15(14)2)19(26)25-10-8-24(9-11-25)18-5-3-4-17(13-18)20(21,22)23/h3-7,12-13H,8-11H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.85E+3	n/a	n/a	n/a	n/a	6.8	23
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
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM25798 (1-[bis(4-fluorophenyl)methyl]-4-[(4-methylphenyl)c...) Show SMILES Cc1ccc(cc1)C(=O)N1CCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C25H24F2N2O/c1-18-2-4-21(5-3-18)25(30)29-16-14-28(15-17-29)24(19-6-10-22(26)11-7-19)20-8-12-23(27)13-9-20/h2-13,24H,14-17H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.89E+3	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 (docked)
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM25799 (1-benzoyl-4-[bis(4-fluorophenyl)methyl]piperazine ...) Show SMILES Fc1ccc(cc1)C(N1CCN(CC1)C(=O)c1ccccc1)c1ccc(F)cc1 Show InChI InChI=1S/C24H22F2N2O/c25-21-10-6-18(7-11-21)23(19-8-12-22(26)13-9-19)27-14-16-28(17-15-27)24(29)20-4-2-1-3-5-20/h1-13,23H,14-17H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.04E+3	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 (docked)
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM15691 (1-Cyclohexyl-N-(9-ethyl-9H-carbazol-3-yl)-5-oxopyr...) Show SMILES CCn1c2ccccc2c2cc(NC(=O)C3CN(C4CCCCC4)C(=O)C3)ccc12 Show InChI InChI=1S/C25H29N3O2/c1-2-27-22-11-7-6-10-20(22)21-15-18(12-13-23(21)27)26-25(30)17-14-24(29)28(16-17)19-8-4-3-5-9-19/h6-7,10-13,15,17,19H,2-5,8-9,14,16H2,1H3,(H,26,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Francisco					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 ...				J Med Chem 49: 6308-23 (2006) Article DOI: 10.1021/jm060715y BindingDB Entry DOI: 10.7270/Q2707ZP0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM25775 (1-(3-chlorophenyl)-4-[(4-methylphenyl)carbonyl]pip...) Show SMILES Cc1ccc(cc1)C(=O)N1CCN(CC1)c1cccc(Cl)c1 Show InChI InChI=1S/C18H19ClN2O/c1-14-5-7-15(8-6-14)18(22)21-11-9-20(10-12-21)17-4-2-3-16(19)13-17/h2-8,13H,9-12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.07E+3	n/a	n/a	n/a	n/a	6.8	23
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 (docked)
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM15673 (1-cyclohexyl-N-(3,5-dimethylphenyl)-5-oxopyrrolidi...) Show SMILES Cc1cc(C)cc(NC(=O)C2CN(C3CCCCC3)C(=O)C2)c1 Show InChI InChI=1S/C19H26N2O2/c1-13-8-14(2)10-16(9-13)20-19(23)15-11-18(22)21(12-15)17-6-4-3-5-7-17/h8-10,15,17H,3-7,11-12H2,1-2H3,(H,20,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Francisco					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 ...				J Med Chem 49: 6308-23 (2006) Article DOI: 10.1021/jm060715y BindingDB Entry DOI: 10.7270/Q2707ZP0
					More data for this Ligand-Target Pair				3D Structure (docked)
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM15689 (N-(3-(Benzyloxy)phenyl)-1-cyclohexyl-5-oxopyrrolid...) Show SMILES O=C(Nc1cccc(OCc2ccccc2)c1)C1CN(C2CCCCC2)C(=O)C1 Show InChI InChI=1S/C24H28N2O3/c27-23-14-19(16-26(23)21-11-5-2-6-12-21)24(28)25-20-10-7-13-22(15-20)29-17-18-8-3-1-4-9-18/h1,3-4,7-10,13,15,19,21H,2,5-6,11-12,14,16-17H2,(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Francisco					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 ...				J Med Chem 49: 6308-23 (2006) Article DOI: 10.1021/jm060715y BindingDB Entry DOI: 10.7270/Q2707ZP0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM15658 (1-cyclohexyl-5-oxo-N-[3-(trifluoromethyl)phenyl]py...) Show SMILES FC(F)(F)c1cccc(NC(=O)C2CN(C3CCCCC3)C(=O)C2)c1 Show InChI InChI=1S/C18H21F3N2O2/c19-18(20,21)13-5-4-6-14(10-13)22-17(25)12-9-16(24)23(11-12)15-7-2-1-3-8-15/h4-6,10,12,15H,1-3,7-9,11H2,(H,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.51E+3	n/a	n/a	n/a	n/a	6.8	23
University of California at San Francisco					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 ...				J Med Chem 49: 6308-23 (2006) Article DOI: 10.1021/jm060715y BindingDB Entry DOI: 10.7270/Q2707ZP0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM15680 (N-(3,5-Bis(trifluoromethyl)phenyl)-1-cyclohexyl-5-...) Show SMILES FC(F)(F)c1cc(NC(=O)C2CN(C3CCCCC3)C(=O)C2)cc(c1)C(F)(F)F Show InChI InChI=1S/C19H20F6N2O2/c20-18(21,22)12-7-13(19(23,24)25)9-14(8-12)26-17(29)11-6-16(28)27(10-11)15-4-2-1-3-5-15/h7-9,11,15H,1-6,10H2,(H,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Francisco					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 ...				J Med Chem 49: 6308-23 (2006) Article DOI: 10.1021/jm060715y BindingDB Entry DOI: 10.7270/Q2707ZP0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM15695 (N-(3-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-car...) Show SMILES Clc1cccc(NC(=O)C2CN(C(=O)C2)c2ccccc2)c1 Show InChI InChI=1S/C17H15ClN2O2/c18-13-5-4-6-14(10-13)19-17(22)12-9-16(21)20(11-12)15-7-2-1-3-8-15/h1-8,10,12H,9,11H2,(H,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Francisco					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 ...				J Med Chem 49: 6308-23 (2006) Article DOI: 10.1021/jm060715y BindingDB Entry DOI: 10.7270/Q2707ZP0
					More data for this Ligand-Target Pair				3D Structure (docked)
Camphor 5-monooxygenase (Pseudomonas putida)	BDBM50149347 (1-Cyclopropylmethyl-1H-imidazole | 1-Subsituted 1H...) Show SMILES C(C1CC1)n1ccnc1 Show InChI InChI=1S/C7H10N2/c1-2-7(1)5-9-4-3-8-6-9/h3-4,6-7H,1-2,5H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of wild type cytochrome P450cam expressed in Escherichia coli				J Med Chem 47: 3572-9 (2004) Article DOI: 10.1021/jm030608t BindingDB Entry DOI: 10.7270/Q20R9NVP
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM15690 (1-Cyclohexyl-4-(1-(phenyl(4-chlorophenyl)methyl)pi...) Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)C1CN(C2CCCCC2)C(=O)C1)c1ccccc1 Show InChI InChI=1S/C28H34ClN3O2/c29-24-13-11-22(12-14-24)27(21-7-3-1-4-8-21)30-15-17-31(18-16-30)28(34)23-19-26(33)32(20-23)25-9-5-2-6-10-25/h1,3-4,7-8,11-14,23,25,27H,2,5-6,9-10,15-20H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Francisco					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 ...				J Med Chem 49: 6308-23 (2006) Article DOI: 10.1021/jm060715y BindingDB Entry DOI: 10.7270/Q2707ZP0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM25792 (4-benzyl-1-[(4-methylphenyl)carbonyl]piperidine | ...) Show SMILES Cc1ccc(cc1)C(=O)N1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C20H23NO/c1-16-7-9-19(10-8-16)20(22)21-13-11-18(12-14-21)15-17-5-3-2-4-6-17/h2-10,18H,11-15H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	5.16E+3	n/a	n/a	n/a	n/a	6.8	23
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)
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM15692 (1-Cyclohexyl-4-(1-(phenyl(p-tolyl)methyl)piperazin...) Show SMILES Cc1ccc(cc1)C(N1CCN(CC1)C(=O)C1CN(C2CCCCC2)C(=O)C1)c1ccccc1 Show InChI InChI=1S/C29H37N3O2/c1-22-12-14-24(15-13-22)28(23-8-4-2-5-9-23)30-16-18-31(19-17-30)29(34)25-20-27(33)32(21-25)26-10-6-3-7-11-26/h2,4-5,8-9,12-15,25-26,28H,3,6-7,10-11,16-21H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Francisco					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 ...				J Med Chem 49: 6308-23 (2006) Article DOI: 10.1021/jm060715y BindingDB Entry DOI: 10.7270/Q2707ZP0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM15694 (4-(1-(Bis(4-fluorophenyl)methyl)piperazine-4-carbo...) Show SMILES Fc1ccc(cc1)C(N1CCN(CC1)C(=O)C1CN(C2CCCCC2)C(=O)C1)c1ccc(F)cc1 Show InChI InChI=1S/C28H33F2N3O2/c29-23-10-6-20(7-11-23)27(21-8-12-24(30)13-9-21)31-14-16-32(17-15-31)28(35)22-18-26(34)33(19-22)25-4-2-1-3-5-25/h6-13,22,25,27H,1-5,14-19H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Francisco					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 ...				J Med Chem 49: 6308-23 (2006) Article DOI: 10.1021/jm060715y BindingDB Entry DOI: 10.7270/Q2707ZP0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM15661 (1-cyclohexyl-N-[3-(2-methylpropyl)phenyl]-5-oxopyr...) Show SMILES CC(C)Cc1cccc(NC(=O)C2CN(C3CCCCC3)C(=O)C2)c1 Show InChI InChI=1S/C21H30N2O2/c1-15(2)11-16-7-6-8-18(12-16)22-21(25)17-13-20(24)23(14-17)19-9-4-3-5-10-19/h6-8,12,15,17,19H,3-5,9-11,13-14H2,1-2H3,(H,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.55E+3	n/a	n/a	n/a	n/a	6.8	23
University of California at San Francisco					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 ...				J Med Chem 49: 6308-23 (2006) Article DOI: 10.1021/jm060715y BindingDB Entry DOI: 10.7270/Q2707ZP0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM25787 (1-(3-chlorophenyl)-4-[(3,4-dichlorophenyl)carbonyl...) Show SMILES Clc1cccc(c1)N1CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H15Cl3N2O/c18-13-2-1-3-14(11-13)21-6-8-22(9-7-21)17(23)12-4-5-15(19)16(20)10-12/h1-5,10-11H,6-9H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.05E+3	n/a	n/a	n/a	n/a	6.8	23
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
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM25774 (1-[(4-methylphenyl)carbonyl]-4-[3-(trifluoromethyl...) Show SMILES Cc1ccc(cc1)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C19H19F3N2O/c1-14-5-7-15(8-6-14)18(25)24-11-9-23(10-12-24)17-4-2-3-16(13-17)19(20,21)22/h2-8,13H,9-12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.26E+3	n/a	n/a	n/a	n/a	6.8	23
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 (docked)
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM15693 (1-Cyclohexyl-4-(1-((4-fluorophenyl)(phenyl)methyl)...) Show SMILES Fc1ccc(cc1)C(N1CCN(CC1)C(=O)C1CN(C2CCCCC2)C(=O)C1)c1ccccc1 Show InChI InChI=1S/C28H34FN3O2/c29-24-13-11-22(12-14-24)27(21-7-3-1-4-8-21)30-15-17-31(18-16-30)28(34)23-19-26(33)32(20-23)25-9-5-2-6-10-25/h1,3-4,7-8,11-14,23,25,27H,2,5-6,9-10,15-20H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Francisco					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 ...				J Med Chem 49: 6308-23 (2006) Article DOI: 10.1021/jm060715y BindingDB Entry DOI: 10.7270/Q2707ZP0
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 153 total )  |  Next  |  Last  >>

Jump to: