Compile Data Set for Download or QSAR

Found 250 hits with Last Name = 'kersten' 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
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50574836 (CHEMBL4871105) Show SMILES Cc1ccc(C[C@H](NC(=O)c2ccncc2)C(=O)N[C@@H](CCc2ccccc2)\C=C\S(=O)(=O)Oc2ccccc2)cc1 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Trypanosoma brucei rhodesain assessed as fluorescence using Cbz-Phe-Arg-AMC as substrate measured at second inhibition step by fluorome...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01002 BindingDB Entry DOI: 10.7270/Q2CC14G4
					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)
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)
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
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50574837 (CHEMBL4855902) Show SMILES Cc1ccc(C[C@H](NC(=O)c2cc[n+]([O-])cc2)C(=O)N[C@@H](CCc2ccccc2)\C=C\S(=O)(=O)Oc2ccccc2)cc1 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Trypanosoma brucei rhodesain assessed as fluorescence using Cbz-Phe-Arg-AMC as substrate measured at second inhibition step by fluorome...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01002 BindingDB Entry DOI: 10.7270/Q2CC14G4
					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)
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
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50574818 (CHEMBL4861941) Show SMILES Cc1ccc(C[C@H](NC(=O)c2ccncc2)C(=O)N[C@@H](CCc2ccccc2)\C=C(/F)S(=O)(=O)Oc2ccccc2)cc1 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Trypanosoma brucei rhodesain assessed as fluorescence using Cbz-Phe-Arg-AMC as substrate measured using Dixon equation by fluorometric ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01002 BindingDB Entry DOI: 10.7270/Q2CC14G4
					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
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50574820 (CHEMBL4863808) Show SMILES Cc1ccc(C[C@H](NC(=O)c2cc(F)cc(F)c2)C(=O)N[C@@H](CCc2ccccc2)\C=C(/F)S(=O)(=O)Oc2ccccc2)cc1 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Trypanosoma brucei rhodesain assessed as fluorescence using Cbz-Phe-Arg-AMC as substrate measured using Dixon equation by fluorometric ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01002 BindingDB Entry DOI: 10.7270/Q2CC14G4
					More data for this Ligand-Target Pair
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)
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50574819 (CHEMBL4860770) Show SMILES Cc1ccc(C[C@H](NC(=O)c2ccc3OCCOc3c2)C(=O)N[C@@H](CCc2ccccc2)\C=C(/F)S(=O)(=O)Oc2ccccc2)cc1 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Trypanosoma brucei rhodesain assessed as fluorescence using Cbz-Phe-Arg-AMC as substrate measured using Dixon equation by fluorometric ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01002 BindingDB Entry DOI: 10.7270/Q2CC14G4
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50574821 (CHEMBL4864383) Show SMILES Cc1cccc(C[C@H](NC(=O)c2ccncc2)C(=O)N[C@@H](CCc2ccccc2)\C=C(/F)S(=O)(=O)Oc2ccccc2)c1 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Trypanosoma brucei rhodesain assessed as fluorescence using Cbz-Phe-Arg-AMC as substrate measured using Dixon equation by fluorometric ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01002 BindingDB Entry DOI: 10.7270/Q2CC14G4
					More data for this Ligand-Target Pair
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)	BDBM50574817 (CHEMBL4855613) Show SMILES F\C(=C/[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2OCCOc2c1)S(=O)(=O)Oc1ccccc1 |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					Assay Description Inhibition of Trypanosoma brucei rhodesain assessed as fluorescence using Cbz-Phe-Arg-AMC as substrate measured using Dixon equation by fluorometric ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01002 BindingDB Entry DOI: 10.7270/Q2CC14G4
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50574822 (CHEMBL4874291) Show SMILES Cc1cccc(C[C@H](NC(=O)c2ccc3OCCOc3c2)C(=O)N[C@@H](CCc2ccccc2)\C=C(/F)S(=O)(=O)Oc2ccccc2)c1 |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					Assay Description Inhibition of Trypanosoma brucei rhodesain assessed as fluorescence using Cbz-Phe-Arg-AMC as substrate measured using Dixon equation by fluorometric ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01002 BindingDB Entry DOI: 10.7270/Q2CC14G4
					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	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)
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)
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50574830 (CHEMBL4878537) Show SMILES Cc1ccc(C[C@H](NC(=O)c2ccc3OCCOc3c2)C(=O)N[C@@H](CCc2ccccc2)\C=C(/F)S(=O)(=O)Cc2ccccc2)cc1 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Trypanosoma brucei rhodesain assessed as fluorescence using Cbz-Phe-Arg-AMC as substrate measured at second inhibition step by fluorome...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01002 BindingDB Entry DOI: 10.7270/Q2CC14G4
					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	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)
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
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50574829 (CHEMBL4866378) Show SMILES Cc1ccc(C[C@H](NC(=O)c2ccncc2)C(=O)N[C@@H](CCc2ccccc2)\C=C(/F)S(=O)(=O)Cc2ccccc2)cc1 |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					Assay Description Inhibition of Trypanosoma brucei rhodesain assessed as fluorescence using Cbz-Phe-Arg-AMC as substrate measured at second inhibition step by fluorome...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01002 BindingDB Entry DOI: 10.7270/Q2CC14G4
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50574815 (CHEMBL4857486) Show SMILES F\C(=C/[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccncc1)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					Assay Description Inhibition of Trypanosoma brucei rhodesain assessed as fluorescence using Cbz-Phe-Arg-AMC as substrate measured using Dixon equation by fluorometric ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01002 BindingDB Entry DOI: 10.7270/Q2CC14G4
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1 (Homo sapiens (Human))	BDBM50510908 (CHEMBL4449105) Show SMILES COc1ccccc1-n1cc(cn1)-c1ccnc(NCCC2CCCN2C)n1 Show InChI InChI=1S/C21H26N6O/c1-26-13-5-6-17(26)9-11-22-21-23-12-10-18(25-21)16-14-24-27(15-16)19-7-3-4-8-20(19)28-2/h3-4,7-8,10,12,14-15,17H,5-6,9,11,13H2,1-2H3,(H,22,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	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
Glycylpeptide N-tetradecanoyltransferase 1 (Homo sapiens (Human))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	18	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))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	18	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)
Glycylpeptide N-tetradecanoyltransferase 1 (Homo sapiens (Human))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	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
Glycylpeptide N-tetradecanoyltransferase (Leishmania major)	BDBM50510908 (CHEMBL4449105) Show SMILES COc1ccccc1-n1cc(cn1)-c1ccnc(NCCC2CCCN2C)n1 Show InChI InChI=1S/C21H26N6O/c1-26-13-5-6-17(26)9-11-22-21-23-12-10-18(25-21)16-14-24-27(15-16)19-7-3-4-8-20(19)28-2/h3-4,7-8,10,12,14-15,17H,5-6,9,11,13H2,1-2H3,(H,22,23,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	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 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 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	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)
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	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 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
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50574823 (CHEMBL4877627) Show SMILES Cc1cccc(C[C@H](NC(=O)c2cc(F)cc(F)c2)C(=O)N[C@@H](CCc2ccccc2)\C=C(/F)S(=O)(=O)Oc2ccccc2)c1 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Trypanosoma brucei rhodesain assessed as fluorescence using Cbz-Phe-Arg-AMC as substrate measured using Dixon equation by fluorometric ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01002 BindingDB Entry DOI: 10.7270/Q2CC14G4
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1 (Homo sapiens (Human))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	24	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
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50574818 (CHEMBL4861941) Show SMILES Cc1ccc(C[C@H](NC(=O)c2ccncc2)C(=O)N[C@@H](CCc2ccccc2)\C=C(/F)S(=O)(=O)Oc2ccccc2)cc1 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Trypanosoma brucei rhodesain assessed as fluorescence using Cbz-Phe-Arg-AMC as substrate measured at second inhibition step by fluorome...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01002 BindingDB Entry DOI: 10.7270/Q2CC14G4
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase (Leishmania major)	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 UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	25	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)
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50574829 (CHEMBL4866378) Show SMILES Cc1ccc(C[C@H](NC(=O)c2ccncc2)C(=O)N[C@@H](CCc2ccccc2)\C=C(/F)S(=O)(=O)Cc2ccccc2)cc1 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of Trypanosoma brucei rhodesain assessed as fluorescence using Cbz-Phe-Arg-AMC as substrate by fluorometric enzyme assays				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01002 BindingDB Entry DOI: 10.7270/Q2CC14G4
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50574840 (CHEMBL4851440) Show SMILES Cc1cccc(C[C@H](NC(=O)c2ccncc2)C(=O)N[C@@H](CCc2ccccc2)\C=C(/F)S(=O)(=O)c2ccccc2)c1 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Trypanosoma brucei rhodesain assessed as fluorescence using Cbz-Phe-Arg-AMC as substrate measured at second inhibition step by fluorome...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01002 BindingDB Entry DOI: 10.7270/Q2CC14G4
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1 (Homo sapiens (Human))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	26	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
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	26	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				3D Structure (crystal)
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50574831 (CHEMBL4867613) Show SMILES Cc1ccc(C[C@H](NC(=O)c2cc(F)cc(F)c2)C(=O)N[C@@H](CCc2ccccc2)\C=C(/F)S(=O)(=O)Cc2ccccc2)cc1 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Trypanosoma brucei rhodesain assessed as fluorescence using Cbz-Phe-Arg-AMC as substrate measured at second inhibition step by fluorome...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01002 BindingDB Entry DOI: 10.7270/Q2CC14G4
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1 (Homo sapiens (Human))	BDBM50027677 (CHEMBL3344387) Show SMILES N[C@@H](CC(=O)N1C[C@H](CO)[C@H](C1)c1ccc(Cl)cc1)Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C21H24Cl2N2O2/c22-17-5-1-14(2-6-17)9-19(24)10-21(27)25-11-16(13-26)20(12-25)15-3-7-18(23)8-4-15/h1-8,16,19-20,26H,9-13,24H2/t16-,19-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	29	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
Procathepsin L (Homo sapiens (Human))	BDBM50574821 (CHEMBL4864383) Show SMILES Cc1cccc(C[C@H](NC(=O)c2ccncc2)C(=O)N[C@@H](CCc2ccccc2)\C=C(/F)S(=O)(=O)Oc2ccccc2)c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CatL assessed as fluorescence using Cbz-Phe-Arg-AMC as substrate measured using Dixon equation by fluorometric enzyme assays				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01002 BindingDB Entry DOI: 10.7270/Q2CC14G4
					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	32	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 1 (Homo sapiens (Human))	BDBM50135481 (CHEMBL3754110) Show SMILES COc1cccc(Cc2noc(n2)-c2ccccc2OC2CCNCC2)c1 Show InChI InChI=1S/C21H23N3O3/c1-25-17-6-4-5-15(13-17)14-20-23-21(27-24-20)18-7-2-3-8-19(18)26-16-9-11-22-12-10-16/h2-8,13,16,22H,9-12,14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	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
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50574820 (CHEMBL4863808) Show SMILES Cc1ccc(C[C@H](NC(=O)c2cc(F)cc(F)c2)C(=O)N[C@@H](CCc2ccccc2)\C=C(/F)S(=O)(=O)Oc2ccccc2)cc1 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Trypanosoma brucei rhodesain assessed as fluorescence using Cbz-Phe-Arg-AMC as substrate measured at second inhibition step by fluorome...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01002 BindingDB Entry DOI: 10.7270/Q2CC14G4
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50574841 (CHEMBL4854682) Show SMILES Cc1cccc(C[C@H](NC(=O)c2ccc3OCCOc3c2)C(=O)N[C@@H](CCc2ccccc2)\C=C(/F)S(=O)(=O)c2ccccc2)c1 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Trypanosoma brucei rhodesain assessed as fluorescence using Cbz-Phe-Arg-AMC as substrate measured at second inhibition step by fluorome...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01002 BindingDB Entry DOI: 10.7270/Q2CC14G4
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 250 total )  |  Next  |  Last  >>

Jump to: