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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Myristoyl-CoA:protein N-myristoyltransferase (Nmt)' and Ligand = 'BDBM50034993'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Candida albicans (Yeast))
BDBM50034993
PNG
((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
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PubMed
31n/an/an/an/an/an/an/an/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
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Homo sapiens (Human))
BDBM50034993
PNG
((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
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PC cid
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Article
n/an/a 60n/an/an/an/an/an/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
More data for this
Ligand-Target Pair