Found 5 hits Enz. Inhib. hit(s) with Target = 'Glycylpeptide N-tetradecanoyltransferase 1' and Ligand = 'BDBM50033422' 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 |
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 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) |
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 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
| 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 human NMT1 Q496L 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)) | 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
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description Inhibition of human N-myristoyltransferase 1 assessed as transfer of [3H]-myristic acid to a biotinylated substrate peptide (GCGGSKVKPQPPQAK(biotin)-... |
J Med Chem 57: 9855-69 (2014)
Article DOI: 10.1021/jm500809c BindingDB Entry DOI: 10.7270/Q2ZC84G2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |