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Compile Data Set for Download or QSAR

Found 39 hits Enz. Inhib. hit(s) with all data for entry = 50048505   
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
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM25764
PNG
(ALPRENOLOL,(+) | ALPRENOLOL,(-) | Alfeprol | Alphe...)
Show SMILES CC(C)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3
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n/an/a 2.30n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Compound was evaluated for its Beta adrenergic receptor blocking action

Bioorg Med Chem Lett 11: 1833-7 (2001)


BindingDB Entry DOI: 10.7270/Q2KS6TRW
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50218691
PNG
(CHEMBL51667)
Show SMILES CCOC(=O)c1oc2cccc(OCC(O)CNC(C)(C)C)c2c1C
Show InChI InChI=1S/C19H27NO5/c1-6-23-18(22)17-12(2)16-14(8-7-9-15(16)25-17)24-11-13(21)10-20-19(3,4)5/h7-9,13,20-21H,6,10-11H2,1-5H3
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n/an/a 4.30n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Compound was evaluated for its Beta adrenergic receptor blocking action

Bioorg Med Chem Lett 11: 1833-7 (2001)


BindingDB Entry DOI: 10.7270/Q2KS6TRW
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM96235
PNG
(4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-c...)
Show SMILES CCOC(=O)c1oc2cccc(OCC(O)CNC(C)C)c2c1C
Show InChI InChI=1S/C18H25NO5/c1-5-22-18(21)17-12(4)16-14(7-6-8-15(16)24-17)23-10-13(20)9-19-11(2)3/h6-8,11,13,19-20H,5,9-10H2,1-4H3
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n/an/a 98n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Compound was evaluated for its Beta adrenergic receptor blocking action

Bioorg Med Chem Lett 11: 1833-7 (2001)


BindingDB Entry DOI: 10.7270/Q2KS6TRW
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1/2


(Homo sapiens (Human))		BDBM50101969
PNG
(3-Methyl-4-{3-[(pyridin-3-ylmethyl)-amino]-propoxy...)
Show SMILES CCOC(=O)c1oc2cccc(OCCCNCc3cccnc3)c2c1C
Show InChI InChI=1S/C21H24N2O4/c1-3-25-21(24)20-15(2)19-17(8-4-9-18(19)27-20)26-12-6-11-23-14-16-7-5-10-22-13-16/h4-5,7-10,13,23H,3,6,11-12,14H2,1-2H3
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n/an/a 100n/an/an/an/an/an/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
Glycylpeptide N-tetradecanoyltransferase 1/2


(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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n/an/a 830n/an/an/an/an/an/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
Glycylpeptide N-tetradecanoyltransferase 1/2


(Homo sapiens (Human))		BDBM96235
PNG
(4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-c...)
Show SMILES CCOC(=O)c1oc2cccc(OCC(O)CNC(C)C)c2c1C
Show InChI InChI=1S/C18H25NO5/c1-5-22-18(21)17-12(4)16-14(7-6-8-15(16)24-17)23-10-13(20)9-19-11(2)3/h6-8,11,13,19-20H,5,9-10H2,1-4H3
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n/an/a 980n/an/an/an/an/an/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
Glycylpeptide N-tetradecanoyltransferase 1/2


(Homo sapiens (Human))		BDBM50218691
PNG
(CHEMBL51667)
Show SMILES CCOC(=O)c1oc2cccc(OCC(O)CNC(C)(C)C)c2c1C
Show InChI InChI=1S/C19H27NO5/c1-6-23-18(22)17-12(2)16-14(8-7-9-15(16)25-17)24-11-13(21)10-20-19(3,4)5/h7-9,13,20-21H,6,10-11H2,1-5H3
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n/an/a 1.20E+3n/an/an/an/an/an/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
Glycylpeptide N-tetradecanoyltransferase 1/2


(Homo sapiens (Human))		BDBM50218690
PNG
(CHEMBL53026)
Show SMILES CCOC(=O)c1oc2cccc(OCCCN3CCCCC3)c2c1C
Show InChI InChI=1S/C20H27NO4/c1-3-23-20(22)19-15(2)18-16(9-7-10-17(18)25-19)24-14-8-13-21-11-5-4-6-12-21/h7,9-10H,3-6,8,11-14H2,1-2H3
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n/an/a 1.60E+3n/an/an/an/an/an/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
Glycylpeptide N-tetradecanoyltransferase 1/2


(Homo sapiens (Human))		BDBM50101968
PNG
(4-(3-tert-Butylamino-propoxy)-3-methyl-benzofuran-...)
Show SMILES CCOC(=O)c1oc2cccc(OCCCNC(C)(C)C)c2c1C
Show InChI InChI=1S/C19H27NO4/c1-6-22-18(21)17-13(2)16-14(9-7-10-15(16)24-17)23-12-8-11-20-19(3,4)5/h7,9-10,20H,6,8,11-12H2,1-5H3
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n/an/a 1.70E+3n/an/an/an/an/an/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
Glycylpeptide N-tetradecanoyltransferase 1/2


(Homo sapiens (Human))		BDBM50218696
PNG
(CHEMBL299034)
Show SMILES CCOC(=O)c1oc2cccc(OCCCNCc3ccccc3)c2c1C
Show InChI InChI=1S/C22H25NO4/c1-3-25-22(24)21-16(2)20-18(11-7-12-19(20)27-21)26-14-8-13-23-15-17-9-5-4-6-10-17/h4-7,9-12,23H,3,8,13-15H2,1-2H3
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n/an/a 3.30E+3n/an/an/an/an/an/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
Glycylpeptide N-tetradecanoyltransferase 1/2


(Homo sapiens (Human))		BDBM50218743
PNG
(CHEMBL53246)
Show SMILES CCOC(=O)c1oc2cccc(OCCCCNC(C)(C)C)c2c1C
Show InChI InChI=1S/C20H29NO4/c1-6-23-19(22)18-14(2)17-15(10-9-11-16(17)25-18)24-13-8-7-12-21-20(3,4)5/h9-11,21H,6-8,12-13H2,1-5H3
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n/an/a 4.40E+3n/an/an/an/an/an/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
Glycylpeptide N-tetradecanoyltransferase 1/2


(Homo sapiens (Human))		BDBM50218688
PNG
(CHEMBL416300)
Show SMILES CCOC(=O)c1oc2cccc(OCCCNC(C)C)c2c1C
Show InChI InChI=1S/C18H25NO4/c1-5-21-18(20)17-13(4)16-14(8-6-9-15(16)23-17)22-11-7-10-19-12(2)3/h6,8-9,12,19H,5,7,10-11H2,1-4H3
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n/an/a 4.40E+3n/an/an/an/an/an/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
Glycylpeptide N-tetradecanoyltransferase 1/2


(Homo sapiens (Human))		BDBM50218744
PNG
(CHEMBL53257)
Show SMILES CCOC(=O)c1oc2cccc(OCCCNCc3cccnc3)c2c1C1CC1
Show InChI InChI=1S/C23H26N2O4/c1-2-27-23(26)22-20(17-9-10-17)21-18(7-3-8-19(21)29-22)28-13-5-12-25-15-16-6-4-11-24-14-16/h3-4,6-8,11,14,17,25H,2,5,9-10,12-13,15H2,1H3
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n/an/a 4.40E+3n/an/an/an/an/an/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
Glycylpeptide N-tetradecanoyltransferase 1/2


(Homo sapiens (Human))		BDBM50218692
PNG
(CHEMBL52631)
Show SMILES CCOC(=O)c1oc2cccc(OCCCNCc3cccnc3)c2c1CC
Show InChI InChI=1S/C22H26N2O4/c1-3-17-20-18(9-5-10-19(20)28-21(17)22(25)26-4-2)27-13-7-12-24-15-16-8-6-11-23-14-16/h5-6,8-11,14,24H,3-4,7,12-13,15H2,1-2H3
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n/an/a 1.00E+4n/an/an/an/an/an/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
Glycylpeptide N-tetradecanoyltransferase 1/2


(Homo sapiens (Human))		BDBM50218694
PNG
(CHEMBL52854)
Show SMILES CCOC(=O)c1oc2cccc(OCCCCCNC(C)(C)C)c2c1C
Show InChI InChI=1S/C21H31NO4/c1-6-24-20(23)19-15(2)18-16(11-10-12-17(18)26-19)25-14-9-7-8-13-22-21(3,4)5/h10-12,22H,6-9,13-14H2,1-5H3
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n/an/a 1.50E+4n/an/an/an/an/an/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
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50101968
PNG
(4-(3-tert-Butylamino-propoxy)-3-methyl-benzofuran-...)
Show SMILES CCOC(=O)c1oc2cccc(OCCCNC(C)(C)C)c2c1C
Show InChI InChI=1S/C19H27NO4/c1-6-22-18(21)17-13(2)16-14(9-7-10-15(16)24-17)23-12-8-11-20-19(3,4)5/h7,9-10,20H,6,8,11-12H2,1-5H3
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n/an/a 2.50E+4n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Compound was evaluated for its Beta adrenergic receptor blocking action

Bioorg Med Chem Lett 11: 1833-7 (2001)


BindingDB Entry DOI: 10.7270/Q2KS6TRW
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50218688
PNG
(CHEMBL416300)
Show SMILES CCOC(=O)c1oc2cccc(OCCCNC(C)C)c2c1C
Show InChI InChI=1S/C18H25NO4/c1-5-21-18(20)17-13(4)16-14(8-6-9-15(16)23-17)22-11-7-10-19-12(2)3/h6,8-9,12,19H,5,7,10-11H2,1-4H3
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n/an/a 3.80E+4n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
In vitro ability of the compound to displace radiolabelled FTI from farnesyltransferase in cultured Ha-ras transformed RAT1 cells

Bioorg Med Chem Lett 11: 1833-7 (2001)


BindingDB Entry DOI: 10.7270/Q2KS6TRW
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1/2


(Homo sapiens (Human))		BDBM50218699
PNG
(CHEMBL55282)
Show SMILES CCOC(=O)c1oc2cccc(OCCNC(C)(C)C)c2c1C
Show InChI InChI=1S/C18H25NO4/c1-6-21-17(20)16-12(2)15-13(8-7-9-14(15)23-16)22-11-10-19-18(3,4)5/h7-9,19H,6,10-11H2,1-5H3
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n/an/a 5.00E+4n/an/an/an/an/an/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
Glycylpeptide N-tetradecanoyltransferase 1/2


(Homo sapiens (Human))		BDBM50218697
PNG
(CHEMBL51868)
Show SMILES CCOC(=O)c1cc2c(OCCCNCc3cccnc3)cccc2o1
Show InChI InChI=1S/C20H22N2O4/c1-2-24-20(23)19-12-16-17(7-3-8-18(16)26-19)25-11-5-10-22-14-15-6-4-9-21-13-15/h3-4,6-9,12-13,22H,2,5,10-11,14H2,1H3
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n/an/a 7.90E+4n/an/an/an/an/an/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
Glycylpeptide N-tetradecanoyltransferase 1/2


(Homo sapiens (Human))		BDBM50218742
PNG
(CHEMBL53726)
Show SMILES CCOC(=O)c1oc2cccc(OCCCNCc3cccnc3)c2c1C(C)C
Show InChI InChI=1S/C23H28N2O4/c1-4-27-23(26)22-20(16(2)3)21-18(9-5-10-19(21)29-22)28-13-7-12-25-15-17-8-6-11-24-14-17/h5-6,8-11,14,16,25H,4,7,12-13,15H2,1-3H3
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n/an/a 8.30E+4n/an/an/an/an/an/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
Glycylpeptide N-tetradecanoyltransferase 1/2


(Homo sapiens (Human))		BDBM50218744
PNG
(CHEMBL53257)
Show SMILES CCOC(=O)c1oc2cccc(OCCCNCc3cccnc3)c2c1C1CC1
Show InChI InChI=1S/C23H26N2O4/c1-2-27-23(26)22-20(17-9-10-17)21-18(7-3-8-19(21)29-22)28-13-5-12-25-15-16-6-4-11-24-14-16/h3-4,6-8,11,14,17,25H,2,5,9-10,12-13,15H2,1H3
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n/an/a 9.10E+4n/an/an/an/an/an/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 1/2


(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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n/an/a>1.40E+5n/an/an/an/an/an/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 1/2


(Homo sapiens (Human))		BDBM50218690
PNG
(CHEMBL53026)
Show SMILES CCOC(=O)c1oc2cccc(OCCCN3CCCCC3)c2c1C
Show InChI InChI=1S/C20H27NO4/c1-3-23-20(22)19-15(2)18-16(9-7-10-17(18)25-19)24-14-8-13-21-11-5-4-6-12-21/h7,9-10H,3-6,8,11-14H2,1-2H3
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n/an/a 1.70E+5n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
In vitro ability of the compound to displace radiolabelled FTI from farnesyltransferase in cultured Ha-ras transformed RAT1 cells

Bioorg Med Chem Lett 11: 1833-7 (2001)


BindingDB Entry DOI: 10.7270/Q2KS6TRW
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1/2


(Homo sapiens (Human))		BDBM96235
PNG
(4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-c...)
Show SMILES CCOC(=O)c1oc2cccc(OCC(O)CNC(C)C)c2c1C
Show InChI InChI=1S/C18H25NO5/c1-5-22-18(21)17-12(4)16-14(7-6-8-15(16)24-17)23-10-13(20)9-19-11(2)3/h6-8,11,13,19-20H,5,9-10H2,1-4H3
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n/an/a 1.94E+5n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
In vitro ability of the compound to displace radiolabelled FTI from farnesyltransferase in cultured Ha-ras transformed RAT1 cells

Bioorg Med Chem Lett 11: 1833-7 (2001)


BindingDB Entry DOI: 10.7270/Q2KS6TRW
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1/2


(Homo sapiens (Human))		BDBM50101968
PNG
(4-(3-tert-Butylamino-propoxy)-3-methyl-benzofuran-...)
Show SMILES CCOC(=O)c1oc2cccc(OCCCNC(C)(C)C)c2c1C
Show InChI InChI=1S/C19H27NO4/c1-6-22-18(21)17-13(2)16-14(9-7-10-15(16)24-17)23-12-8-11-20-19(3,4)5/h7,9-10,20H,6,8,11-12H2,1-5H3
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n/an/a 2.00E+5n/an/an/an/an/an/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 1/2


(Homo sapiens (Human))		BDBM50218742
PNG
(CHEMBL53726)
Show SMILES CCOC(=O)c1oc2cccc(OCCCNCc3cccnc3)c2c1C(C)C
Show InChI InChI=1S/C23H28N2O4/c1-4-27-23(26)22-20(16(2)3)21-18(9-5-10-19(21)29-22)28-13-7-12-25-15-17-8-6-11-24-14-17/h5-6,8-11,14,16,25H,4,7,12-13,15H2,1-3H3
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n/an/a 2.60E+5n/an/an/an/an/an/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 1/2


(Homo sapiens (Human))		BDBM50218692
PNG
(CHEMBL52631)
Show SMILES CCOC(=O)c1oc2cccc(OCCCNCc3cccnc3)c2c1CC
Show InChI InChI=1S/C22H26N2O4/c1-3-17-20-18(9-5-10-19(20)28-21(17)22(25)26-4-2)27-13-7-12-24-15-16-8-6-11-23-14-16/h5-6,8-11,14,24H,3-4,7,12-13,15H2,1-2H3
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n/an/a 2.80E+5n/an/an/an/an/an/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 1/2


(Homo sapiens (Human))		BDBM50218688
PNG
(CHEMBL416300)
Show SMILES CCOC(=O)c1oc2cccc(OCCCNC(C)C)c2c1C
Show InChI InChI=1S/C18H25NO4/c1-5-21-18(20)17-13(4)16-14(8-6-9-15(16)23-17)22-11-7-10-19-12(2)3/h6,8-9,12,19H,5,7,10-11H2,1-4H3
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n/an/a 3.80E+5n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity to reduce the human geranylgeranyl transferase type I (GGPTase-1)-catalyzed incorporation of 3H GGPP (100 nM) into K-Ras...

Bioorg Med Chem Lett 11: 1833-7 (2001)


BindingDB Entry DOI: 10.7270/Q2KS6TRW
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1/2


(Homo sapiens (Human))		BDBM50218691
PNG
(CHEMBL51667)
Show SMILES CCOC(=O)c1oc2cccc(OCC(O)CNC(C)(C)C)c2c1C
Show InChI InChI=1S/C19H27NO5/c1-6-23-18(22)17-12(2)16-14(8-7-9-15(16)25-17)24-11-13(21)10-20-19(3,4)5/h7-9,13,20-21H,6,10-11H2,1-5H3
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n/an/a 4.70E+5n/an/an/an/an/an/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 1/2


(Homo sapiens (Human))		BDBM50218696
PNG
(CHEMBL299034)
Show SMILES CCOC(=O)c1oc2cccc(OCCCNCc3ccccc3)c2c1C
Show InChI InChI=1S/C22H25NO4/c1-3-25-22(24)21-16(2)20-18(11-7-12-19(20)27-21)26-14-8-13-23-15-17-9-5-4-6-10-17/h4-7,9-12,23H,3,8,13-15H2,1-2H3
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n/an/a 5.30E+5n/an/an/an/an/an/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 1/2


(Homo sapiens (Human))		BDBM50218693
PNG
(CHEMBL52574)
Show SMILES CCOC(=O)c1oc2cccc(OCCCOCc3cccnc3)c2c1C
Show InChI InChI=1S/C21H23NO5/c1-3-25-21(23)20-15(2)19-17(8-4-9-18(19)27-20)26-12-6-11-24-14-16-7-5-10-22-13-16/h4-5,7-10,13H,3,6,11-12,14H2,1-2H3
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n/an/a>5.40E+5n/an/an/an/an/an/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
Glycylpeptide N-tetradecanoyltransferase 1/2


(Homo sapiens (Human))		BDBM50218693
PNG
(CHEMBL52574)
Show SMILES CCOC(=O)c1oc2cccc(OCCCOCc3cccnc3)c2c1C
Show InChI InChI=1S/C21H23NO5/c1-3-25-21(23)20-15(2)19-17(8-4-9-18(19)27-20)26-12-6-11-24-14-16-7-5-10-22-13-16/h4-5,7-10,13H,3,6,11-12,14H2,1-2H3
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n/an/a>5.40E+5n/an/an/an/an/an/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 1/2


(Homo sapiens (Human))		BDBM50101969
PNG
(3-Methyl-4-{3-[(pyridin-3-ylmethyl)-amino]-propoxy...)
Show SMILES CCOC(=O)c1oc2cccc(OCCCNCc3cccnc3)c2c1C
Show InChI InChI=1S/C21H24N2O4/c1-3-25-21(24)20-15(2)19-17(8-4-9-18(19)27-20)26-12-6-11-23-14-16-7-5-10-22-13-16/h4-5,7-10,13,23H,3,6,11-12,14H2,1-2H3
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n/an/a>5.40E+5n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
In vitro ability of the compound to displace radiolabelled FTI from farnesyltransferase in cultured Ha-ras transformed RAT1 cells

Bioorg Med Chem Lett 11: 1833-7 (2001)


BindingDB Entry DOI: 10.7270/Q2KS6TRW
More data for this
Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1/2


(Homo sapiens (Human))		BDBM50218694
PNG
(CHEMBL52854)
Show SMILES CCOC(=O)c1oc2cccc(OCCCCCNC(C)(C)C)c2c1C
Show InChI InChI=1S/C21H31NO4/c1-6-24-20(23)19-15(2)18-16(11-10-12-17(18)26-19)25-14-9-7-8-13-22-21(3,4)5/h10-12,22H,6-9,13-14H2,1-5H3
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n/an/a>5.50E+5n/an/an/an/an/an/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 1/2


(Homo sapiens (Human))		BDBM50218697
PNG
(CHEMBL51868)
Show SMILES CCOC(=O)c1cc2c(OCCCNCc3cccnc3)cccc2o1
Show InChI InChI=1S/C20H22N2O4/c1-2-24-20(23)19-12-16-17(7-3-8-18(16)26-19)25-11-5-10-22-14-15-6-4-9-21-13-15/h3-4,6-9,12-13,22H,2,5,10-11,14H2,1H3
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n/an/a>5.60E+5n/an/an/an/an/an/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 1/2


(Homo sapiens (Human))		BDBM50218698
PNG
(CHEMBL51792)
Show SMILES CCOC(=O)c1oc2cccc(OCCCNc3ccccc3)c2c1C
Show InChI InChI=1S/C21H23NO4/c1-3-24-21(23)20-15(2)19-17(11-7-12-18(19)26-20)25-14-8-13-22-16-9-5-4-6-10-16/h4-7,9-12,22H,3,8,13-14H2,1-2H3
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n/an/a>5.70E+5n/an/an/an/an/an/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
Glycylpeptide N-tetradecanoyltransferase 1/2


(Homo sapiens (Human))		BDBM50218698
PNG
(CHEMBL51792)
Show SMILES CCOC(=O)c1oc2cccc(OCCCNc3ccccc3)c2c1C
Show InChI InChI=1S/C21H23NO4/c1-3-24-21(23)20-15(2)19-17(11-7-12-18(19)26-20)25-14-8-13-22-16-9-5-4-6-10-16/h4-7,9-12,22H,3,8,13-14H2,1-2H3
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n/an/a>5.70E+5n/an/an/an/an/an/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 1/2


(Homo sapiens (Human))		BDBM50218743
PNG
(CHEMBL53246)
Show SMILES CCOC(=O)c1oc2cccc(OCCCCNC(C)(C)C)c2c1C
Show InChI InChI=1S/C20H29NO4/c1-6-23-19(22)18-14(2)17-15(10-9-11-16(17)25-18)24-13-8-7-12-21-20(3,4)5/h9-11,21H,6-8,12-13H2,1-5H3
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n/an/a>5.80E+5n/an/an/an/an/an/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 1/2


(Homo sapiens (Human))		BDBM50218699
PNG
(CHEMBL55282)
Show SMILES CCOC(=O)c1oc2cccc(OCCNC(C)(C)C)c2c1C
Show InChI InChI=1S/C18H25NO4/c1-6-21-17(20)16-12(2)15-13(8-7-9-14(15)23-16)22-11-10-19-18(3,4)5/h7-9,19H,6,10-11H2,1-5H3
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n/an/a>6.30E+5n/an/an/an/an/an/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