BindingDB PrimarySearch

BDBM50364113 CHEMBL1230468

SMILES: Cc1nn(C)c(C)c1NS(=O)(=O)c1c(Cl)cc(cc1Cl)-c1ccnc(c1)N1CCNCC1

InChI Key: InChIKey=XMBSZPZJLPTFMV-UHFFFAOYSA-N

Data: 16 KI 7 IC50

PDB links: 6 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 50364113
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Peptide N-myristoyltransferase (Homo sapiens (Human))	BDBM50364113 (CHEMBL1230468) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL 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
Johannes Gutenberg-Universit£t Mainz Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
N-myristoyltransferase (NMT1) (Leishmania major)	BDBM50364113 (CHEMBL1230468) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL 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
Johannes Gutenberg-Universit£t Mainz Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptide N-myristoyltransferase (Homo sapiens (Human))	BDBM50364113 (CHEMBL1230468) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL 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
Johannes Gutenberg-Universit£t Mainz Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
N-myristoyltransferase (NMT1) (Leishmania major)	BDBM50364113 (CHEMBL1230468) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL 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
Johannes Gutenberg-Universit£t Mainz Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptide N-myristoyltransferase (Homo sapiens (Human))	BDBM50364113 (CHEMBL1230468) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL 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
Johannes Gutenberg-Universit£t Mainz Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptide N-myristoyltransferase (Homo sapiens (Human))	BDBM50364113 (CHEMBL1230468) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL 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
Johannes Gutenberg-Universit£t Mainz Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptide N-myristoyltransferase (Homo sapiens (Human))	BDBM50364113 (CHEMBL1230468) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL 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
Johannes Gutenberg-Universit£t Mainz Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptide N-myristoyltransferase (Homo sapiens (Human))	BDBM50364113 (CHEMBL1230468) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	38	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/N473H/L495M/Q496L mutant expressed in Escherichia coli Rosetta-2 cells using GSNKSKPK as substrate in presence of MyrC...				J Med Chem 63: 2095-2113 (2020) Article DOI: 10.1021/acs.jmedchem.9b00586
Johannes Gutenberg-Universit£t Mainz Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
N-myristoyltransferase (NMT1) (Leishmania major)	BDBM50364113 (CHEMBL1230468) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	41	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
Johannes Gutenberg-Universit£t Mainz Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptide N-myristoyltransferase (Homo sapiens (Human))	BDBM50364113 (CHEMBL1230468) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	43	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
Johannes Gutenberg-Universit£t Mainz Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptide N-myristoyltransferase (Homo sapiens (Human))	BDBM50364113 (CHEMBL1230468) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	69	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 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
Johannes Gutenberg-Universit£t Mainz Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptide N-myristoyltransferase (Homo sapiens (Human))	BDBM50364113 (CHEMBL1230468) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	79	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 A452M 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
Johannes Gutenberg-Universit£t Mainz Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptide N-myristoyltransferase (Homo sapiens (Human))	BDBM50364113 (CHEMBL1230468) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	120	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 A452M/L453V/L462V 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
Johannes Gutenberg-Universit£t Mainz Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptide N-myristoyltransferase (Homo sapiens (Human))	BDBM50364113 (CHEMBL1230468) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	230	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 L453V 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
Johannes Gutenberg-Universit£t Mainz Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptide N-myristoyltransferase (Homo sapiens (Human))	BDBM50364113 (CHEMBL1230468) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	280	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 A452M/L453V/L495M 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
Johannes Gutenberg-Universit£t Mainz Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptide N-myristoyltransferase (Homo sapiens (Human))	BDBM50364113 (CHEMBL1230468) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	300	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 A452M/L453V mutant expressed in Escherichia coli Rosetta-2 cells using GSNKSKPK as substrate in presence of MyrCoA after 30 ...				J Med Chem 63: 2095-2113 (2020) Article DOI: 10.1021/acs.jmedchem.9b00586
Johannes Gutenberg-Universit£t Mainz Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Myristoyl-CoA:protein N-myristoyltransferase (Nmt) (Homo sapiens (Human))	BDBM50364113 (CHEMBL1230468) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3	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
University of Dundee Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50364113 (CHEMBL1230468) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of human ERG				J Med Chem 57: 9855-69 (2014) Article DOI: 10.1021/jm500809c BindingDB Entry DOI: 10.7270/Q2ZC84G2
University of Dundee Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50364113 (CHEMBL1230468) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of human ERG by automated patch clamp assay				J Med Chem 55: 140-52 (2012) Article DOI: 10.1021/jm201091t BindingDB Entry DOI: 10.7270/Q25Q4WK9
University of Dundee Curated by ChEMBL					More data for this Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt) (Homo sapiens (Human))	BDBM50364113 (CHEMBL1230468) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3	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 using [3H]myristoyl-CoA and GCGGSKVKPQPPQAK(biotin)-amide as substrate preincubated for 5 mins prior sub...				J Med Chem 55: 140-52 (2012) Article DOI: 10.1021/jm201091t BindingDB Entry DOI: 10.7270/Q25Q4WK9
University of Dundee Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
N-myristoyltransferase (NMT1) (Leishmania major)	BDBM50364113 (CHEMBL1230468) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Leishmania major N-myristoyltransferase using [3H]myristoyl-CoA and GCGGSKVKPQPPQAK(biotin)-amide as substrate preincubated for 5 mins ...				J Med Chem 55: 140-52 (2012) Article DOI: 10.1021/jm201091t BindingDB Entry DOI: 10.7270/Q25Q4WK9
University of Dundee Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptide N-myristoyltransferase (Homo sapiens (Human))	BDBM50364113 (CHEMBL1230468) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of human NMT1 using [3H]-myristoyl-coA/biotinylated CAP5.5 as substrate after 15 mins by scintillation/luminescence counting method				J Med Chem 60: 9790-9806 (2017) Article DOI: 10.1021/acs.jmedchem.7b01255 BindingDB Entry DOI: 10.7270/Q25141NZ
University of Dundee Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptide N-myristoyltransferase 2 (Homo sapiens (Human))	BDBM50364113 (CHEMBL1230468) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3	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 2 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
University of Dundee Curated by ChEMBL					More data for this Ligand-Target Pair