Compile Data Set for Download or QSAR

Found 914 hits with Last Name = 'sotriffer' and Initial = 'c'   

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 [NADPH] FabI (Staphylococcus aureus)	BDBM16297 (5-Hexyl-2-phenoxy-phenol | 5-hexyl-2-phenoxylpheno...) Show SMILES CCCCCCc1ccc(Oc2ccccc2)c(O)c1 Show InChI InChI=1S/C18H22O2/c1-2-3-4-6-9-15-12-13-18(17(19)14-15)20-16-10-7-5-8-11-16/h5,7-8,10-14,19H,2-4,6,9H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Stony Brook University					Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).				Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM97445 (PT119) Show SMILES CCCCCCc1ccc(Oc2ccccc2C#N)c(O)c1 Show InChI InChI=1S/C19H21NO2/c1-2-3-4-5-8-15-11-12-19(17(21)13-15)22-18-10-7-6-9-16(18)14-20/h6-7,9-13,21H,2-5,8H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Stony Brook University					Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).				Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM16296 (5-Pentyl-2-phenoxy-phenol | 5-pentyl-2-phenoxylphe...) Show SMILES CCCCCc1ccc(Oc2ccccc2)c(O)c1 Show InChI InChI=1S/C17H20O2/c1-2-3-5-8-14-11-12-17(16(18)13-14)19-15-9-6-4-7-10-15/h4,6-7,9-13,18H,2-3,5,8H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Stony Brook University					Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).				Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM97444 (PT443) Show SMILES Oc1cc(Br)ccc1Oc1ccccc1C#N Show InChI InChI=1S/C13H8BrNO2/c14-10-5-6-13(11(16)7-10)17-12-4-2-1-3-9(12)8-15/h1-7,16H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Stony Brook University					Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).				Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	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 KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Stony Brook University					Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).				Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM97443 (PT447) Show SMILES Oc1cc(Cl)ccc1Oc1ccccc1C#N Show InChI InChI=1S/C13H8ClNO2/c14-10-5-6-13(11(16)7-10)17-12-4-2-1-3-9(12)8-15/h1-7,16H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Stony Brook University					Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).				Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM36540 (5-bromo-2-phenoxylphenol | PT103) Show SMILES Oc1cc(Br)ccc1Oc1ccccc1 Show InChI InChI=1S/C12H9BrO2/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8,14H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Stony Brook University					Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).				Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM36543 (5-propyl-2-phenoxyphenol | PT02) Show SMILES CCCc1ccc(Oc2ccccc2)c(O)c1 Show InChI InChI=1S/C15H16O2/c1-2-6-12-9-10-15(14(16)11-12)17-13-7-4-3-5-8-13/h3-5,7-11,16H,2,6H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Stony Brook University					Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).				Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM16294 (2PP | 5-Ethyl-2-phenoxy-phenol | 5-butyl-2-phenoxy...) Show SMILES CCc1ccc(Oc2ccccc2)c(O)c1 Show InChI InChI=1S/C14H14O2/c1-2-11-8-9-14(13(15)10-11)16-12-6-4-3-5-7-12/h3-10,15H,2H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Stony Brook University					Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).				Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM97441 (PT89) Show SMILES Oc1cc(Cc2ccccc2)ccc1Oc1ccccc1 Show InChI InChI=1S/C19H16O2/c20-18-14-16(13-15-7-3-1-4-8-15)11-12-19(18)21-17-9-5-2-6-10-17/h1-12,14,20H,13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Stony Brook University					Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).				Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM97440 (PT68) Show SMILES Oc1cc(CC=C)ccc1Oc1ccccc1 Show InChI InChI=1S/C15H14O2/c1-2-6-12-9-10-15(14(16)11-12)17-13-7-4-3-5-8-13/h2-5,7-11,16H,1,6H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Stony Brook University					Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).				Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM36539 (5-chloro-2-phenoxylphenol | PT52 | US10071965, Com...) Show SMILES Oc1cc(Cl)ccc1Oc1ccccc1 Show InChI InChI=1S/C12H9ClO2/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8,14H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Stony Brook University					Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).				Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50373348 (CHEMBL264434 | PT13) Show SMILES CCCCCCc1ccc(Oc2ccccc2N)c(O)c1 Show InChI InChI=1S/C18H23NO2/c1-2-3-4-5-8-14-11-12-18(16(20)13-14)21-17-10-7-6-9-15(17)19/h6-7,9-13,20H,2-5,8,19H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Stony Brook University					Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).				Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM36542 (5-methyl-2-phenoxylphenol | PT53 | US10071965, Com...) Show SMILES Cc1ccc(Oc2ccccc2)c(O)c1 Show InChI InChI=1S/C13H12O2/c1-10-7-8-13(12(14)9-10)15-11-5-3-2-4-6-11/h2-9,14H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Stony Brook University					Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).				Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM97446 (PT162) Show SMILES Cc1ccccc1Oc1ccc(CCc2ccccc2)cc1O Show InChI InChI=1S/C21H20O2/c1-16-7-5-6-10-20(16)23-21-14-13-18(15-19(21)22)12-11-17-8-3-2-4-9-17/h2-10,13-15,22H,11-12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Stony Brook University					Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).				Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM16298 (5-Octyl-2-phenoxy-phenol | 5-heptyl-2-phenoxylphen...) Show SMILES CCCCCCCCc1ccc(Oc2ccccc2)c(O)c1 Show InChI InChI=1S/C20H26O2/c1-2-3-4-5-6-8-11-17-14-15-20(19(21)16-17)22-18-12-9-7-10-13-18/h7,9-10,12-16,21H,2-6,8,11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	0.820	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Stony Brook University					Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).				Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1 (Homo sapiens (Human))	BDBM50033422 (CHEMBL3357688) Show SMILES CN1CCN(CC1)c1cc(ccn1)-c1cc(Cl)c(c(Cl)c1)S(=O)(=O)Nc1c(C)nn(C)c1C Show InChI InChI=1S/C22H26Cl2N6O2S/c1-14-21(15(2)29(4)26-14)27-33(31,32)22-18(23)11-17(12-19(22)24)16-5-6-25-20(13-16)30-9-7-28(3)8-10-30/h5-6,11-13,27H,7-10H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johannes Gutenberg-Universit£t Mainz Curated by ChEMBL					Assay Description Inhibition of human NMT1 L495M mutant expressed in Escherichia coli Rosetta-2 cells using GSNKSKPK as substrate in presence of MyrCoA after 30 mins b...				J Med Chem 63: 2095-2113 (2020) Article DOI: 10.1021/acs.jmedchem.9b00586 BindingDB Entry DOI: 10.7270/Q2R214QK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM97442 (PT446) Show SMILES Oc1cc(F)ccc1Oc1ccccc1C#N Show InChI InChI=1S/C13H8FNO2/c14-10-5-6-13(11(16)7-10)17-12-4-2-1-3-9(12)8-15/h1-7,16H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.01	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Stony Brook University					Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).				Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase (Leishmania major)	BDBM50510905 (CHEMBL4532268) Show SMILES [H][C@]12CCCN1CCN(CCCc1cc(Cl)c(c(Cl)c1)S(=O)(=O)N(C)c1c(C)nn(C)c1C)C2 |r| Show InChI InChI=1S/C23H33Cl2N5O2S/c1-16-22(17(2)27(3)26-16)28(4)33(31,32)23-20(24)13-18(14-21(23)25)7-5-9-29-11-12-30-10-6-8-19(30)15-29/h13-14,19H,5-12,15H2,1-4H3/t19-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johannes Gutenberg-Universit£t Mainz Curated by ChEMBL					Assay Description Inhibition of Leishmania major NMT H398N mutant expressed in Escherichia coli Rosetta-2 cells using GSNKSKPK as substrate in presence of MyrCoA after...				J Med Chem 63: 2095-2113 (2020) Article DOI: 10.1021/acs.jmedchem.9b00586 BindingDB Entry DOI: 10.7270/Q2R214QK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM231620 (CG400549 | US10071965, Compound CG400549) Show SMILES Cc1c(N)cccc1Cn1ccc(OCCc2cccs2)cc1=O Show InChI InChI=1S/C19H20N2O2S/c1-14-15(4-2-6-18(14)20)13-21-9-7-16(12-19(21)22)23-10-8-17-5-3-11-24-17/h2-7,9,11-12H,8,10,13,20H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
University of Wuerzburg					Assay Description Kinetics were performed on a Cary 100 spectrophotometer (Varian) at 20 °C. Reaction velocities were measured by monitoring the oxidation of NAD(P)H t...				J Biol Chem 289: 15987-6005 (2014) Article DOI: 10.1074/jbc.M113.532804 BindingDB Entry DOI: 10.7270/Q2H41Q89
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycylpeptide N-tetradecanoyltransferase (Leishmania major)	BDBM50033422 (CHEMBL3357688) Show SMILES CN1CCN(CC1)c1cc(ccn1)-c1cc(Cl)c(c(Cl)c1)S(=O)(=O)Nc1c(C)nn(C)c1C Show InChI InChI=1S/C22H26Cl2N6O2S/c1-14-21(15(2)29(4)26-14)27-33(31,32)22-18(23)11-17(12-19(22)24)16-5-6-25-20(13-16)30-9-7-28(3)8-10-30/h5-6,11-13,27H,7-10H2,1-4H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johannes Gutenberg-Universit£t Mainz Curated by ChEMBL					Assay Description Inhibition of N-terminal TEV cleavage site-fused His6 tagged Leishmania major NMT (11 to 421 residues) expressed in Escherichia coli Rosetta-2 cells ...				J Med Chem 63: 2095-2113 (2020) Article DOI: 10.1021/acs.jmedchem.9b00586 BindingDB Entry DOI: 10.7270/Q2R214QK
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM36538 (5-fluoro-2-phenoxylphenol | PT55 | US10071965, Com...) Show SMILES Oc1cc(F)ccc1Oc1ccccc1 Show InChI InChI=1S/C12H9FO2/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8,14H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	1.42	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Stony Brook University					Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).				Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM36541 (5-nitro-2-phenoxylphenol | PT104) Show SMILES Oc1cc(ccc1Oc1ccccc1)N(=O)=O Show InChI InChI=1S/C12H9NO4/c14-11-8-9(13(15)16)6-7-12(11)17-10-4-2-1-3-5-10/h1-8,14H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents	Article PubMed	1.49	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Stony Brook University					Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).				Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase (Leishmania major)	BDBM50510904 (CHEMBL3912318) Show SMILES CN(c1c(C)nn(C)c1C)S(=O)(=O)c1c(Cl)cc(CCCN2CCNCC2)cc1Cl Show InChI InChI=1S/C20H29Cl2N5O2S/c1-14-19(15(2)25(3)24-14)26(4)30(28,29)20-17(21)12-16(13-18(20)22)6-5-9-27-10-7-23-8-11-27/h12-13,23H,5-11H2,1-4H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johannes Gutenberg-Universit£t Mainz Curated by ChEMBL					Assay Description Inhibition of Leishmania major NMT H398N mutant expressed in Escherichia coli Rosetta-2 cells using GSNKSKPK as substrate in presence of MyrCoA after...				J Med Chem 63: 2095-2113 (2020) Article DOI: 10.1021/acs.jmedchem.9b00586 BindingDB Entry DOI: 10.7270/Q2R214QK
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase (Leishmania major)	BDBM50510905 (CHEMBL4532268) Show SMILES [H][C@]12CCCN1CCN(CCCc1cc(Cl)c(c(Cl)c1)S(=O)(=O)N(C)c1c(C)nn(C)c1C)C2 |r| Show InChI InChI=1S/C23H33Cl2N5O2S/c1-16-22(17(2)27(3)26-16)28(4)33(31,32)23-20(24)13-18(14-21(23)25)7-5-9-29-11-12-30-10-6-8-19(30)15-29/h13-14,19H,5-12,15H2,1-4H3/t19-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johannes Gutenberg-Universit£t Mainz Curated by ChEMBL					Assay Description Inhibition of N-terminal TEV cleavage site-fused His6 tagged Leishmania major NMT (11 to 421 residues) expressed in Escherichia coli Rosetta-2 cells ...				J Med Chem 63: 2095-2113 (2020) Article DOI: 10.1021/acs.jmedchem.9b00586 BindingDB Entry DOI: 10.7270/Q2R214QK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM190654 (PT173) Show SMILES CCCCCCc1ccn(Cc2cccc(N)c2C)c(=O)c1 Show InChI InChI=1S/C19H26N2O/c1-3-4-5-6-8-16-11-12-21(19(22)13-16)14-17-9-7-10-18(20)15(17)2/h7,9-13H,3-6,8,14,20H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
University of Wuerzburg					Assay Description Kinetics were performed on a Cary 100 spectrophotometer (Varian) at 20 °C. Reaction velocities were measured by monitoring the oxidation of NAD(P)H t...				J Biol Chem 289: 15987-6005 (2014) Article DOI: 10.1074/jbc.M113.532804 BindingDB Entry DOI: 10.7270/Q2H41Q89
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycylpeptide N-tetradecanoyltransferase (Leishmania major)	BDBM50510904 (CHEMBL3912318) Show SMILES CN(c1c(C)nn(C)c1C)S(=O)(=O)c1c(Cl)cc(CCCN2CCNCC2)cc1Cl Show InChI InChI=1S/C20H29Cl2N5O2S/c1-14-19(15(2)25(3)24-14)26(4)30(28,29)20-17(21)12-16(13-18(20)22)6-5-9-27-10-7-23-8-11-27/h12-13,23H,5-11H2,1-4H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johannes Gutenberg-Universit£t Mainz Curated by ChEMBL					Assay Description Inhibition of Leishmania major NMT L421Q mutant expressed in Escherichia coli Rosetta-2 cells using GSNKSKPK as substrate in presence of MyrCoA after...				J Med Chem 63: 2095-2113 (2020) Article DOI: 10.1021/acs.jmedchem.9b00586 BindingDB Entry DOI: 10.7270/Q2R214QK
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM190661 (PT166) Show SMILES CCCCCCc1cc(=O)c(Oc2ccccc2C)cn1C Show InChI InChI=1S/C19H25NO2/c1-4-5-6-7-11-16-13-17(21)19(14-20(16)3)22-18-12-9-8-10-15(18)2/h8-10,12-14H,4-7,11H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
University of Wuerzburg					Assay Description Kinetics were performed on a Cary 100 spectrophotometer (Varian) at 20 °C. Reaction velocities were measured by monitoring the oxidation of NAD(P)H t...				J Biol Chem 289: 15987-6005 (2014) Article DOI: 10.1074/jbc.M113.532804 BindingDB Entry DOI: 10.7270/Q2H41Q89
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1 (Homo sapiens (Human))	BDBM50364113 (CHEMBL1230468) Show SMILES Cc1nn(C)c(C)c1NS(=O)(=O)c1c(Cl)cc(cc1Cl)-c1ccnc(c1)N1CCNCC1 Show InChI InChI=1S/C21H24Cl2N6O2S/c1-13-20(14(2)28(3)26-13)27-32(30,31)21-17(22)10-16(11-18(21)23)15-4-5-25-19(12-15)29-8-6-24-7-9-29/h4-5,10-12,24,27H,6-9H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johannes Gutenberg-Universit£t Mainz Curated by ChEMBL					Assay Description Inhibition of human NMT1 L495M mutant expressed in Escherichia coli Rosetta-2 cells using GSNKSKPK as substrate in presence of MyrCoA after 30 mins b...				J Med Chem 63: 2095-2113 (2020) Article DOI: 10.1021/acs.jmedchem.9b00586 BindingDB Entry DOI: 10.7270/Q2R214QK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycylpeptide N-tetradecanoyltransferase 1 (Homo sapiens (Human))	BDBM50148269 (CHEMBL3770219) Show SMILES Cc1nn(C)c(C)c1Cc1nnc(o1)-c1cc(Cl)ccc1OC1CCNCC1 Show InChI InChI=1S/C20H24ClN5O2/c1-12-16(13(2)26(3)25-12)11-19-23-24-20(28-19)17-10-14(21)4-5-18(17)27-15-6-8-22-9-7-15/h4-5,10,15,22H,6-9,11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johannes Gutenberg-Universit£t Mainz Curated by ChEMBL					Assay Description Inhibition of human NMT1 R295Q/W297F/A452M/L453V/L462V/N473H/L495M/Q496L mutant expressed in Escherichia coli Rosetta-2 cells using GSNKSKPK as subst...				J Med Chem 63: 2095-2113 (2020) Article DOI: 10.1021/acs.jmedchem.9b00586 BindingDB Entry DOI: 10.7270/Q2R214QK
					More data for this Ligand-Target Pair
Glycine receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50225707 (CHEBI:28973 | Strychnine) Show SMILES [H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6c7ccccc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |c:5| Show InChI InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]strychnine from human glycine receptor subunit alpha-1 expressed in HEK293 cell membranes preincubated for 30 mins followed by [3...				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c01030 BindingDB Entry DOI: 10.7270/Q2HH6PV6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycylpeptide N-tetradecanoyltransferase (Leishmania major)	BDBM50033422 (CHEMBL3357688) Show SMILES CN1CCN(CC1)c1cc(ccn1)-c1cc(Cl)c(c(Cl)c1)S(=O)(=O)Nc1c(C)nn(C)c1C Show InChI InChI=1S/C22H26Cl2N6O2S/c1-14-21(15(2)29(4)26-14)27-33(31,32)22-18(23)11-17(12-19(22)24)16-5-6-25-20(13-16)30-9-7-28(3)8-10-30/h5-6,11-13,27H,7-10H2,1-4H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johannes Gutenberg-Universit£t Mainz Curated by ChEMBL					Assay Description Inhibition of Leishmania major NMT L421Q mutant expressed in Escherichia coli Rosetta-2 cells using GSNKSKPK as substrate in presence of MyrCoA after...				J Med Chem 63: 2095-2113 (2020) Article DOI: 10.1021/acs.jmedchem.9b00586 BindingDB Entry DOI: 10.7270/Q2R214QK
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1 (Homo sapiens (Human))	BDBM50033422 (CHEMBL3357688) Show SMILES CN1CCN(CC1)c1cc(ccn1)-c1cc(Cl)c(c(Cl)c1)S(=O)(=O)Nc1c(C)nn(C)c1C Show InChI InChI=1S/C22H26Cl2N6O2S/c1-14-21(15(2)29(4)26-14)27-33(31,32)22-18(23)11-17(12-19(22)24)16-5-6-25-20(13-16)30-9-7-28(3)8-10-30/h5-6,11-13,27H,7-10H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johannes Gutenberg-Universit£t Mainz Curated by ChEMBL					Assay Description Inhibition of human NMT1 N473H/L495M/Q496L mutant expressed in Escherichia coli Rosetta-2 cells using GSNKSKPK as substrate in presence of MyrCoA aft...				J Med Chem 63: 2095-2113 (2020) Article DOI: 10.1021/acs.jmedchem.9b00586 BindingDB Entry DOI: 10.7270/Q2R214QK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (Escherichia coli)	BDBM190661 (PT166) Show SMILES CCCCCCc1cc(=O)c(Oc2ccccc2C)cn1C Show InChI InChI=1S/C19H25NO2/c1-4-5-6-7-11-16-13-17(21)19(14-20(16)3)22-18-12-9-8-10-15(18)2/h8-10,12-14H,4-7,11H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
University of Wuerzburg					Assay Description Kinetics were performed on a Cary 100 spectrophotometer (Varian) at 20 °C. Reaction velocities were measured by monitoring the oxidation of NAD(P)H t...				J Biol Chem 289: 15987-6005 (2014) Article DOI: 10.1074/jbc.M113.532804 BindingDB Entry DOI: 10.7270/Q2H41Q89
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycylpeptide N-tetradecanoyltransferase (Leishmania major)	BDBM50510907 (CHEMBL4470652) Show SMILES COc1cccc(c1)-n1cc(cn1)-c1ccnc(NCCC2CCCN2C)n1 Show InChI InChI=1S/C21H26N6O/c1-26-12-4-6-17(26)8-10-22-21-23-11-9-20(25-21)16-14-24-27(15-16)18-5-3-7-19(13-18)28-2/h3,5,7,9,11,13-15,17H,4,6,8,10,12H2,1-2H3,(H,22,23,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johannes Gutenberg-Universit£t Mainz Curated by ChEMBL					Assay Description Inhibition of N-terminal TEV cleavage site-fused His6 tagged Leishmania major NMT (11 to 421 residues) expressed in Escherichia coli Rosetta-2 cells ...				J Med Chem 63: 2095-2113 (2020) Article DOI: 10.1021/acs.jmedchem.9b00586 BindingDB Entry DOI: 10.7270/Q2R214QK
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase (Leishmania major)	BDBM50364113 (CHEMBL1230468) Show SMILES Cc1nn(C)c(C)c1NS(=O)(=O)c1c(Cl)cc(cc1Cl)-c1ccnc(c1)N1CCNCC1 Show InChI InChI=1S/C21H24Cl2N6O2S/c1-13-20(14(2)28(3)26-13)27-32(30,31)21-17(22)10-16(11-18(21)23)15-4-5-25-19(12-15)29-8-6-24-7-9-29/h4-5,10-12,24,27H,6-9H2,1-3H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johannes Gutenberg-Universit£t Mainz Curated by ChEMBL					Assay Description Inhibition of N-terminal TEV cleavage site-fused His6 tagged Leishmania major NMT (11 to 421 residues) expressed in Escherichia coli Rosetta-2 cells ...				J Med Chem 63: 2095-2113 (2020) Article DOI: 10.1021/acs.jmedchem.9b00586 BindingDB Entry DOI: 10.7270/Q2R214QK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycylpeptide N-tetradecanoyltransferase (Leishmania major)	BDBM50033422 (CHEMBL3357688) Show SMILES CN1CCN(CC1)c1cc(ccn1)-c1cc(Cl)c(c(Cl)c1)S(=O)(=O)Nc1c(C)nn(C)c1C Show InChI InChI=1S/C22H26Cl2N6O2S/c1-14-21(15(2)29(4)26-14)27-33(31,32)22-18(23)11-17(12-19(22)24)16-5-6-25-20(13-16)30-9-7-28(3)8-10-30/h5-6,11-13,27H,7-10H2,1-4H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johannes Gutenberg-Universit£t Mainz Curated by ChEMBL					Assay Description Inhibition of Leishmania major NMT H398N mutant expressed in Escherichia coli Rosetta-2 cells using GSNKSKPK as substrate in presence of MyrCoA after...				J Med Chem 63: 2095-2113 (2020) Article DOI: 10.1021/acs.jmedchem.9b00586 BindingDB Entry DOI: 10.7270/Q2R214QK
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50592132 (CHEMBL5172863) Show SMILES O=C(NCc1ccccc1C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)Oc1ccccc1)c1ccncc1 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114460 BindingDB Entry DOI: 10.7270/Q23F4TN0
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50229129 (4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...) Show SMILES CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:31.34| Show InChI InChI=1S/C32H38N4O4S/c1-35-20-22-36(23-21-35)32(38)34-30(25-27-13-7-3-8-14-27)31(37)33-28(18-17-26-11-5-2-6-12-26)19-24-41(39,40)29-15-9-4-10-16-29/h2-16,19,24,28,30H,17-18,20-23,25H2,1H3,(H,33,37)(H,34,38)/t28-,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114460 BindingDB Entry DOI: 10.7270/Q23F4TN0
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50592133 (CHEMBL5208143) Show SMILES O=C(NCc1ccccc1C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)Oc1ccccc1)c1ccc2OCCOc2c1 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114460 BindingDB Entry DOI: 10.7270/Q23F4TN0
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50067004 ((S)-1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-...) Show SMILES CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H35NO4/c1-4-28(2,3)25(30)26(31)29-20-12-11-17-23(29)27(32)33-24(22-15-9-6-10-16-22)19-18-21-13-7-5-8-14-21/h5-10,13-16,23-24H,4,11-12,17-20H2,1-3H3/t23-,24+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wu£rzburg Curated by ChEMBL					Assay Description Inhibition of FKBP12				J Med Chem 54: 277-83 (2011) Article DOI: 10.1021/jm101156y BindingDB Entry DOI: 10.7270/Q2GF0VG2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycylpeptide N-tetradecanoyltransferase 1 (Homo sapiens (Human))	BDBM50364113 (CHEMBL1230468) Show SMILES Cc1nn(C)c(C)c1NS(=O)(=O)c1c(Cl)cc(cc1Cl)-c1ccnc(c1)N1CCNCC1 Show InChI InChI=1S/C21H24Cl2N6O2S/c1-13-20(14(2)28(3)26-13)27-32(30,31)21-17(22)10-16(11-18(21)23)15-4-5-25-19(12-15)29-8-6-24-7-9-29/h4-5,10-12,24,27H,6-9H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johannes Gutenberg-Universit£t Mainz Curated by ChEMBL					Assay Description Inhibition of human NMT1 W297F/A452M/L453V/L462V/L495M/Q496L mutant expressed in Escherichia coli Rosetta-2 cells using GSNKSKPK as substrate in pres...				J Med Chem 63: 2095-2113 (2020) Article DOI: 10.1021/acs.jmedchem.9b00586 BindingDB Entry DOI: 10.7270/Q2R214QK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM231623 (PT159) Show SMILES CCCCCCc1cc(=O)c(Cc2ccccc2C#N)cn1C Show InChI InChI=1S/C20H24N2O/c1-3-4-5-6-11-19-13-20(23)18(15-22(19)2)12-16-9-7-8-10-17(16)14-21/h7-10,13,15H,3-6,11-12H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
University of Wuerzburg					Assay Description Kinetics were performed on a Cary 100 spectrophotometer (Varian) at 20 °C. Reaction velocities were measured by monitoring the oxidation of NAD(P)H t...				J Biol Chem 289: 15987-6005 (2014) Article DOI: 10.1074/jbc.M113.532804 BindingDB Entry DOI: 10.7270/Q2H41Q89
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM190653 (PT172) Show SMILES CCCCCCc1ccn(Cc2ccccc2Cl)c(=O)c1 Show InChI InChI=1S/C18H22ClNO/c1-2-3-4-5-8-15-11-12-20(18(21)13-15)14-16-9-6-7-10-17(16)19/h6-7,9-13H,2-5,8,14H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
University of Wuerzburg					Assay Description Kinetics were performed on a Cary 100 spectrophotometer (Varian) at 20 °C. Reaction velocities were measured by monitoring the oxidation of NAD(P)H t...				J Biol Chem 289: 15987-6005 (2014) Article DOI: 10.1074/jbc.M113.532804 BindingDB Entry DOI: 10.7270/Q2H41Q89
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM190652 (LOX inhibitor, 13 | PT171) Show SMILES CCCCCCc1ccn(Cc2ccccc2C)c(=O)c1 Show InChI InChI=1S/C23H24ClN3O2/c1-17(28)26-11-13-27(14-12-26)21-7-5-20(6-8-21)25-16-22-9-10-23(29-22)18-3-2-4-19(24)15-18/h2-10,15,25H,11-14,16H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	11.9	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
University of Wuerzburg					Assay Description Kinetics were performed on a Cary 100 spectrophotometer (Varian) at 20 °C. Reaction velocities were measured by monitoring the oxidation of NAD(P)H t...				J Biol Chem 289: 15987-6005 (2014) Article DOI: 10.1074/jbc.M113.532804 BindingDB Entry DOI: 10.7270/Q2H41Q89
					More data for this Ligand-Target Pair
Glycine receptor subunit alpha-1 (RAT)	BDBM50225707 (CHEBI:28973 | Strychnine) Show SMILES [H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6c7ccccc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |c:5| Show InChI InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The German University in Cairo Curated by ChEMBL					Assay Description Displacement of [3H]strychnine from glycine receptor alpha 1 in rat brain synaptic membranes				J Nat Prod 79: 2997-3005 (2016) Article DOI: 10.1021/acs.jnatprod.6b00479 BindingDB Entry DOI: 10.7270/Q2QZ2D66
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycylpeptide N-tetradecanoyltransferase 1 (Homo sapiens (Human))	BDBM50033422 (CHEMBL3357688) Show SMILES CN1CCN(CC1)c1cc(ccn1)-c1cc(Cl)c(c(Cl)c1)S(=O)(=O)Nc1c(C)nn(C)c1C Show InChI InChI=1S/C22H26Cl2N6O2S/c1-14-21(15(2)29(4)26-14)27-33(31,32)22-18(23)11-17(12-19(22)24)16-5-6-25-20(13-16)30-9-7-28(3)8-10-30/h5-6,11-13,27H,7-10H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johannes Gutenberg-Universit£t Mainz Curated by ChEMBL					Assay Description Inhibition of N-terminal TEV cleavage site-fused His6 tagged human NMT1 (115 to 496 residues) expressed in Escherichia coli Rosetta-2 cells using GSN...				J Med Chem 63: 2095-2113 (2020) Article DOI: 10.1021/acs.jmedchem.9b00586 BindingDB Entry DOI: 10.7270/Q2R214QK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycylpeptide N-tetradecanoyltransferase (Leishmania major)	BDBM50364113 (CHEMBL1230468) Show SMILES Cc1nn(C)c(C)c1NS(=O)(=O)c1c(Cl)cc(cc1Cl)-c1ccnc(c1)N1CCNCC1 Show InChI InChI=1S/C21H24Cl2N6O2S/c1-13-20(14(2)28(3)26-13)27-32(30,31)21-17(22)10-16(11-18(21)23)15-4-5-25-19(12-15)29-8-6-24-7-9-29/h4-5,10-12,24,27H,6-9H2,1-3H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johannes Gutenberg-Universit£t Mainz Curated by ChEMBL					Assay Description Inhibition of Leishmania major NMT H398N mutant expressed in Escherichia coli Rosetta-2 cells using GSNKSKPK as substrate in presence of MyrCoA after...				J Med Chem 63: 2095-2113 (2020) Article DOI: 10.1021/acs.jmedchem.9b00586 BindingDB Entry DOI: 10.7270/Q2R214QK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50592134 (CHEMBL5182340) Show SMILES Fc1cc(F)cc(c1)C(=O)NCc1ccccc1C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)Oc1ccccc1 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114460 BindingDB Entry DOI: 10.7270/Q23F4TN0
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1 (Homo sapiens (Human))	BDBM50510906 (CHEMBL4435880) Show SMILES CC(C(=O)NCc1cccnc1C1CCCN(C)CC1)n1cncc1C Show InChI InChI=1S/C20H29N5O/c1-15-12-21-14-25(15)16(2)20(26)23-13-18-6-4-9-22-19(18)17-7-5-10-24(3)11-8-17/h4,6,9,12,14,16-17H,5,7-8,10-11,13H2,1-3H3,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johannes Gutenberg-Universit£t Mainz Curated by ChEMBL					Assay Description Inhibition of human NMT1 R295Q/W297F/A452M/L453V/L462V/N473H/L495M/Q496L mutant expressed in Escherichia coli Rosetta-2 cells using GSNKSKPK as subst...				J Med Chem 63: 2095-2113 (2020) Article DOI: 10.1021/acs.jmedchem.9b00586 BindingDB Entry DOI: 10.7270/Q2R214QK
					More data for this Ligand-Target Pair

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