BDBM50034993 (S)-6-Amino-2-[(S)-3-hydroxy-2-(2-{4-[4-(2-methyl-imidazol-1-yl)-butyl]-phenyl}-acetylamino)-propionylamino]-hexanoic acid (2-cyclohexyl-ethyl)-amide::CHEMBL6269::SC-58272::[CYCLOHEXYLETHYL]-[[[[4-[2-METHYL-1-IMIDAZOLYL-BUTYL]PHENYL]ACETYL]-SERYL]-LYSINYL]-AMINE

SMILES: Cc1nccn1CCCCc1ccc(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC2CCCCC2)cc1

InChI Key: InChIKey=WHLPIOSHBKQGHA-KYJUHHDHSA-N

Data: 2 KI  10 IC50

PDB links: 2 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50034993   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Peptide N-myristoyltransferase (Homo sapiens (Human))	BDBM50034993 ((S)-6-Amino-2-[(S)-3-hydroxy-2-(2-{4-[4-(2-methyl-...) Show SMILES Cc1nccn1CCCCc1ccc(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC2CCCCC2)cc1 Show InChI InChI=1S/C33H52N6O4/c1-25-35-20-22-39(25)21-8-6-11-27-13-15-28(16-14-27)23-31(41)37-30(24-40)33(43)38-29(12-5-7-18-34)32(42)36-19-17-26-9-3-2-4-10-26/h13-16,20,22,26,29-30,40H,2-12,17-19,21,23-24,34H2,1H3,(H,36,42)(H,37,41)(H,38,43)/t29-,30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	0.0310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
G.D. Searle and Co. Curated by ChEMBL					Assay Description Apparent binding affinity against Candida albicans N-Myristoyltransferase (NMT).				J Med Chem 38: 1837-40 (1995) Article DOI: 10.1021/jm00011a001 BindingDB Entry DOI: 10.7270/Q23J3GPZ
					More data for this Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt) (Candida albicans (Yeast))	BDBM50034993 ((S)-6-Amino-2-[(S)-3-hydroxy-2-(2-{4-[4-(2-methyl-...) Show SMILES Cc1nccn1CCCCc1ccc(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC2CCCCC2)cc1 Show InChI InChI=1S/C33H52N6O4/c1-25-35-20-22-39(25)21-8-6-11-27-13-15-28(16-14-27)23-31(41)37-30(24-40)33(43)38-29(12-5-7-18-34)32(42)36-19-17-26-9-3-2-4-10-26/h13-16,20,22,26,29-30,40H,2-12,17-19,21,23-24,34H2,1H3,(H,36,42)(H,37,41)(H,38,43)/t29-,30-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
G. D. Searle and Company Curated by ChEMBL					Assay Description The Compound was tested for the inhibition potency against C. albicans N-myristoyltransferase (NMT) and reported as apparent Ki				J Med Chem 41: 996-1000 (1998) Article DOI: 10.1021/jm980001q BindingDB Entry DOI: 10.7270/Q27080KF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptide N-myristoyltransferase (Homo sapiens (Human))	BDBM50034993 ((S)-6-Amino-2-[(S)-3-hydroxy-2-(2-{4-[4-(2-methyl-...) Show SMILES Cc1nccn1CCCCc1ccc(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC2CCCCC2)cc1 Show InChI InChI=1S/C33H52N6O4/c1-25-35-20-22-39(25)21-8-6-11-27-13-15-28(16-14-27)23-31(41)37-30(24-40)33(43)38-29(12-5-7-18-34)32(42)36-19-17-26-9-3-2-4-10-26/h13-16,20,22,26,29-30,40H,2-12,17-19,21,23-24,34H2,1H3,(H,36,42)(H,37,41)(H,38,43)/t29-,30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	>1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory activity against human N-myristoyltransferase (HsNmt)				Bioorg Med Chem Lett 11: 1833-7 (2001) BindingDB Entry DOI: 10.7270/Q2KS6TRW
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase (Saccharomyces cerevisiae)	BDBM50034993 ((S)-6-Amino-2-[(S)-3-hydroxy-2-(2-{4-[4-(2-methyl-...) Show SMILES Cc1nccn1CCCCc1ccc(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC2CCCCC2)cc1 Show InChI InChI=1S/C33H52N6O4/c1-25-35-20-22-39(25)21-8-6-11-27-13-15-28(16-14-27)23-31(41)37-30(24-40)33(43)38-29(12-5-7-18-34)32(42)36-19-17-26-9-3-2-4-10-26/h13-16,20,22,26,29-30,40H,2-12,17-19,21,23-24,34H2,1H3,(H,36,42)(H,37,41)(H,38,43)/t29-,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae NMT				J Biol Chem 282: 22185-94 (2007) Article DOI: 10.1074/jbc.M702696200 BindingDB Entry DOI: 10.7270/Q24Q7VWR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptide N-myristoyltransferase (Homo sapiens (Human))	BDBM50034993 ((S)-6-Amino-2-[(S)-3-hydroxy-2-(2-{4-[4-(2-methyl-...) Show SMILES Cc1nccn1CCCCc1ccc(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC2CCCCC2)cc1 Show InChI InChI=1S/C33H52N6O4/c1-25-35-20-22-39(25)21-8-6-11-27-13-15-28(16-14-27)23-31(41)37-30(24-40)33(43)38-29(12-5-7-18-34)32(42)36-19-17-26-9-3-2-4-10-26/h13-16,20,22,26,29-30,40H,2-12,17-19,21,23-24,34H2,1H3,(H,36,42)(H,37,41)(H,38,43)/t29-,30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars		n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Candida albicans N-myristoyltransferase (NMT) with peptide GNAASARR-NH2 and [3H]myristoyl-CoA at 1 uM				Citation and Details BindingDB Entry DOI: 10.7270/Q2FJ2JXN
					More data for this Ligand-Target Pair
Peptide N-myristoyltransferase (Homo sapiens (Human))	BDBM50034993 ((S)-6-Amino-2-[(S)-3-hydroxy-2-(2-{4-[4-(2-methyl-...) Show SMILES Cc1nccn1CCCCc1ccc(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC2CCCCC2)cc1 Show InChI InChI=1S/C33H52N6O4/c1-25-35-20-22-39(25)21-8-6-11-27-13-15-28(16-14-27)23-31(41)37-30(24-40)33(43)38-29(12-5-7-18-34)32(42)36-19-17-26-9-3-2-4-10-26/h13-16,20,22,26,29-30,40H,2-12,17-19,21,23-24,34H2,1H3,(H,36,42)(H,37,41)(H,38,43)/t29-,30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
G.D. Searle and Company Curated by ChEMBL					Assay Description Inhibition activity against N-myristoyltransferase (NMT) of candida albicans.				J Med Chem 40: 2609-25 (1997) Article DOI: 10.1021/jm970094w BindingDB Entry DOI: 10.7270/Q2BR8VXS
					More data for this Ligand-Target Pair
Peptide N-myristoyltransferase (Homo sapiens (Human))	BDBM50034993 ((S)-6-Amino-2-[(S)-3-hydroxy-2-(2-{4-[4-(2-methyl-...) Show SMILES Cc1nccn1CCCCc1ccc(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC2CCCCC2)cc1 Show InChI InChI=1S/C33H52N6O4/c1-25-35-20-22-39(25)21-8-6-11-27-13-15-28(16-14-27)23-31(41)37-30(24-40)33(43)38-29(12-5-7-18-34)32(42)36-19-17-26-9-3-2-4-10-26/h13-16,20,22,26,29-30,40H,2-12,17-19,21,23-24,34H2,1H3,(H,36,42)(H,37,41)(H,38,43)/t29-,30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
G.D. Searle and Company Curated by ChEMBL					Assay Description Inhibition activity against N-myristoyltransferase (NMT) of human.				J Med Chem 40: 2609-25 (1997) Article DOI: 10.1021/jm970094w BindingDB Entry DOI: 10.7270/Q2BR8VXS
					More data for this Ligand-Target Pair
Peptide N-myristoyltransferase (Homo sapiens (Human))	BDBM50034993 ((S)-6-Amino-2-[(S)-3-hydroxy-2-(2-{4-[4-(2-methyl-...) Show SMILES Cc1nccn1CCCCc1ccc(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC2CCCCC2)cc1 Show InChI InChI=1S/C33H52N6O4/c1-25-35-20-22-39(25)21-8-6-11-27-13-15-28(16-14-27)23-31(41)37-30(24-40)33(43)38-29(12-5-7-18-34)32(42)36-19-17-26-9-3-2-4-10-26/h13-16,20,22,26,29-30,40H,2-12,17-19,21,23-24,34H2,1H3,(H,36,42)(H,37,41)(H,38,43)/t29-,30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
G.D. Searle and Co. Curated by ChEMBL					Assay Description Inhibitory activity against human N-Myristoyltransferase (NMT).				J Med Chem 38: 1837-40 (1995) Article DOI: 10.1021/jm00011a001 BindingDB Entry DOI: 10.7270/Q23J3GPZ
					More data for this Ligand-Target Pair
Peptide N-myristoyltransferase (Homo sapiens (Human))	BDBM50034993 ((S)-6-Amino-2-[(S)-3-hydroxy-2-(2-{4-[4-(2-methyl-...) Show SMILES Cc1nccn1CCCCc1ccc(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC2CCCCC2)cc1 Show InChI InChI=1S/C33H52N6O4/c1-25-35-20-22-39(25)21-8-6-11-27-13-15-28(16-14-27)23-31(41)37-30(24-40)33(43)38-29(12-5-7-18-34)32(42)36-19-17-26-9-3-2-4-10-26/h13-16,20,22,26,29-30,40H,2-12,17-19,21,23-24,34H2,1H3,(H,36,42)(H,37,41)(H,38,43)/t29-,30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
G.D. Searle and Co. Curated by ChEMBL					Assay Description Inhibitory activity against Candida albicans N-Myristoyltransferase (NMT).				J Med Chem 38: 1837-40 (1995) Article DOI: 10.1021/jm00011a001 BindingDB Entry DOI: 10.7270/Q23J3GPZ
					More data for this Ligand-Target Pair
Peptide N-myristoyltransferase (Homo sapiens (Human))	BDBM50034993 ((S)-6-Amino-2-[(S)-3-hydroxy-2-(2-{4-[4-(2-methyl-...) Show SMILES Cc1nccn1CCCCc1ccc(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC2CCCCC2)cc1 Show InChI InChI=1S/C33H52N6O4/c1-25-35-20-22-39(25)21-8-6-11-27-13-15-28(16-14-27)23-31(41)37-30(24-40)33(43)38-29(12-5-7-18-34)32(42)36-19-17-26-9-3-2-4-10-26/h13-16,20,22,26,29-30,40H,2-12,17-19,21,23-24,34H2,1H3,(H,36,42)(H,37,41)(H,38,43)/t29-,30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory activity against Candida albicans N-myristoyltransferase (CaNmt)				Bioorg Med Chem Lett 11: 1833-7 (2001) BindingDB Entry DOI: 10.7270/Q2KS6TRW
					More data for this Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt) (Homo sapiens (Human))	BDBM50034993 ((S)-6-Amino-2-[(S)-3-hydroxy-2-(2-{4-[4-(2-methyl-...) Show SMILES Cc1nccn1CCCCc1ccc(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC2CCCCC2)cc1 Show InChI InChI=1S/C33H52N6O4/c1-25-35-20-22-39(25)21-8-6-11-27-13-15-28(16-14-27)23-31(41)37-30(24-40)33(43)38-29(12-5-7-18-34)32(42)36-19-17-26-9-3-2-4-10-26/h13-16,20,22,26,29-30,40H,2-12,17-19,21,23-24,34H2,1H3,(H,36,42)(H,37,41)(H,38,43)/t29-,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against Candida albicans N-Myristoyltransferase (NMT)				Bioorg Med Chem Lett 6: 1977-1982 (1996) Article DOI: 10.1016/0960-894X(96)00354-X BindingDB Entry DOI: 10.7270/Q2TH8MPP
					More data for this Ligand-Target Pair
Peptide N-myristoyltransferase (Homo sapiens (Human))	BDBM50034993 ((S)-6-Amino-2-[(S)-3-hydroxy-2-(2-{4-[4-(2-methyl-...) Show SMILES Cc1nccn1CCCCc1ccc(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC2CCCCC2)cc1 Show InChI InChI=1S/C33H52N6O4/c1-25-35-20-22-39(25)21-8-6-11-27-13-15-28(16-14-27)23-31(41)37-30(24-40)33(43)38-29(12-5-7-18-34)32(42)36-19-17-26-9-3-2-4-10-26/h13-16,20,22,26,29-30,40H,2-12,17-19,21,23-24,34H2,1H3,(H,36,42)(H,37,41)(H,38,43)/t29-,30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars		n/a	n/a	1.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Tested for Inhibitory concentration against human N-myristoyltransferase (NMT) in radiochemical HPLC end point assay with peptide GNAASARR-NH2 and [3...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FJ2JXN
					More data for this Ligand-Target Pair