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Compile Data Set for Download or QSAR

Found 221 hits with Last Name = 'ostanin' and Initial = 'k'   
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
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM81396
PNG
(GMX1778)
Show SMILES Clc1ccc(OCCCCCCNC(NC#N)=Nc2ccncc2)cc1
Show InChI InChI=1S/C19H22ClN5O/c20-16-5-7-18(8-6-16)26-14-4-2-1-3-11-23-19(24-15-21)25-17-9-12-22-13-10-17/h5-10,12-13H,1-4,11,14H2,(H2,22,23,24,25)
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n/an/a 0.0700n/an/an/an/an/an/a



Myriad Pharmaceuticals



Assay Description
In vitro inhibition assay using human nampt, NMN adenylytransferase (nmant1)and UDP-glucose dehdryogenase (ugdh) genes.


Chem Biol 17: 659-64 (2010)


Article DOI: 10.1016/j.chembiol.2010.05.008
BindingDB Entry DOI: 10.7270/Q2VT1QJW
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM81395
PNG
(APO-866)
Show SMILES O=C(NCCCCC1CCN(CC1)C(=O)c1ccccc1)\C=C\c1cccnc1
Show InChI InChI=1S/C24H29N3O2/c28-23(12-11-21-8-6-15-25-19-21)26-16-5-4-7-20-13-17-27(18-14-20)24(29)22-9-2-1-3-10-22/h1-3,6,8-12,15,19-20H,4-5,7,13-14,16-18H2,(H,26,28)/b12-11+
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n/an/a 0.140n/an/an/an/an/an/a



Myriad Pharmaceuticals



Assay Description
In vitro inhibition assay using human nampt, NMN adenylytransferase (nmant1)and UDP-glucose dehdryogenase (ugdh) genes.


Chem Biol 17: 659-64 (2010)


Article DOI: 10.1016/j.chembiol.2010.05.008
BindingDB Entry DOI: 10.7270/Q2VT1QJW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM81393
PNG
(MPI-0479883)
Show SMILES Cn1c(CN2CCN(CCN)CC2)nc2cc(Cl)c(CN(CC#C)c3ccc(cc3)C(=O)NCc3cccnc3)cc2c1=O
Show InChI InChI=1S/C33H37ClN8O2/c1-3-12-42(27-8-6-25(7-9-27)32(43)37-21-24-5-4-11-36-20-24)22-26-18-28-30(19-29(26)34)38-31(39(2)33(28)44)23-41-16-14-40(13-10-35)15-17-41/h1,4-9,11,18-20H,10,12-17,21-23,35H2,2H3,(H,37,43)
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n/an/a 0.170n/an/an/an/an/an/a



Myriad Pharmaceuticals



Assay Description
In vitro inhibition assay using human nampt, NMN adenylytransferase (nmant1)and UDP-glucose dehdryogenase (ugdh) genes.


Chem Biol 17: 659-64 (2010)


Article DOI: 10.1016/j.chembiol.2010.05.008
BindingDB Entry DOI: 10.7270/Q2VT1QJW
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50117198
PNG
(4-{[7-Chloro-3-methyl-2-(4-methyl-piperazin-1-ylme...)
Show SMILES CN1CCN(Cc2nc3cc(Cl)c(CN(CC#C)c4ccc(cc4)C(=O)NCc4cccnc4)cc3c(=O)n2C)CC1
Show InChI InChI=1S/C32H34ClN7O2/c1-4-12-40(26-9-7-24(8-10-26)31(41)35-20-23-6-5-11-34-19-23)21-25-17-27-29(18-28(25)33)36-30(38(3)32(27)42)22-39-15-13-37(2)14-16-39/h1,5-11,17-19H,12-16,20-22H2,2-3H3,(H,35,41)
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n/an/a 0.230n/an/an/an/an/an/a



Myriad Pharmaceuticals



Assay Description
In vitro inhibition assay using human nampt, NMN adenylytransferase (nmant1)and UDP-glucose dehdryogenase (ugdh) genes.


Chem Biol 17: 659-64 (2010)


Article DOI: 10.1016/j.chembiol.2010.05.008
BindingDB Entry DOI: 10.7270/Q2VT1QJW
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50347432
PNG
(CHEMBL1801863)
Show SMILES Cn1c(CN2CCN(CCCN)CC2)nc2cc(Cl)c(CN(CC#C)c3ccc(cc3)C(=O)NCc3cccnc3)cc2c1=O
Show InChI InChI=1S/C34H39ClN8O2/c1-3-13-43(28-9-7-26(8-10-28)33(44)38-22-25-6-4-12-37-21-25)23-27-19-29-31(20-30(27)35)39-32(40(2)34(29)45)24-42-17-15-41(16-18-42)14-5-11-36/h1,4,6-10,12,19-21H,5,11,13-18,22-24,36H2,2H3,(H,38,44)
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n/an/a 0.300n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of nicotinamide phosphoribosyltransferase-catalyzed conversion of nicotinamide to nicotinamide mononucleotide


J Med Chem 53: 8734-46 (2010)


Article DOI: 10.1021/jm101145b
BindingDB Entry DOI: 10.7270/Q26H4HSP
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50117198
PNG
(4-{[7-Chloro-3-methyl-2-(4-methyl-piperazin-1-ylme...)
Show SMILES CN1CCN(Cc2nc3cc(Cl)c(CN(CC#C)c4ccc(cc4)C(=O)NCc4cccnc4)cc3c(=O)n2C)CC1
Show InChI InChI=1S/C32H34ClN7O2/c1-4-12-40(26-9-7-24(8-10-26)31(41)35-20-23-6-5-11-34-19-23)21-25-17-27-29(18-28(25)33)36-30(38(3)32(27)42)22-39-15-13-37(2)14-16-39/h1,5-11,17-19H,12-16,20-22H2,2-3H3,(H,35,41)
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n/an/a 0.310n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of nicotinamide phosphoribosyltransferase-catalyzed conversion of nicotinamide to nicotinamide mononucleotide


J Med Chem 53: 8734-46 (2010)


Article DOI: 10.1021/jm101145b
BindingDB Entry DOI: 10.7270/Q26H4HSP
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50347433
PNG
(CHEMBL1801864)
Show SMILES CC(C)=CCN(Cc1cc2c(cc1Cl)nnn(C)c2=O)c1ccc(cc1)C(=O)NCc1cccnc1
Show InChI InChI=1S/C27H27ClN6O2/c1-18(2)10-12-34(17-21-13-23-25(14-24(21)28)31-32-33(3)27(23)36)22-8-6-20(7-9-22)26(35)30-16-19-5-4-11-29-15-19/h4-11,13-15H,12,16-17H2,1-3H3,(H,30,35)
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n/an/a 0.450n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of nicotinamide phosphoribosyltransferase-catalyzed conversion of nicotinamide to nicotinamide mononucleotide


J Med Chem 53: 8734-46 (2010)


Article DOI: 10.1021/jm101145b
BindingDB Entry DOI: 10.7270/Q26H4HSP
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50347427
PNG
(CHEMBL1801934)
Show SMILES Cc1nc2cc(Cl)c(CN(CC#C)c3ccc(cc3)C(=O)NCc3cccnc3)cc2c(=O)n1C
Show InChI InChI=1S/C27H24ClN5O2/c1-4-12-33(17-21-13-23-25(14-24(21)28)31-18(2)32(3)27(23)35)22-9-7-20(8-10-22)26(34)30-16-19-6-5-11-29-15-19/h1,5-11,13-15H,12,16-17H2,2-3H3,(H,30,34)
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n/an/a 0.550n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of nicotinamide phosphoribosyltransferase-catalyzed conversion of nicotinamide to nicotinamide mononucleotide


J Med Chem 53: 8734-46 (2010)


Article DOI: 10.1021/jm101145b
BindingDB Entry DOI: 10.7270/Q26H4HSP
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50347431
PNG
(CHEMBL1801862)
Show SMILES Cn1c(CO)nc2cc(Cl)c(CN(CC#C)c3ccc(cc3)C(=O)NCc3cccnc3)cc2c1=O
Show InChI InChI=1S/C27H24ClN5O3/c1-3-11-33(16-20-12-22-24(13-23(20)28)31-25(17-34)32(2)27(22)36)21-8-6-19(7-9-21)26(35)30-15-18-5-4-10-29-14-18/h1,4-10,12-14,34H,11,15-17H2,2H3,(H,30,35)
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n/an/a 0.790n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of nicotinamide phosphoribosyltransferase-catalyzed conversion of nicotinamide to nicotinamide mononucleotide


J Med Chem 53: 8734-46 (2010)


Article DOI: 10.1021/jm101145b
BindingDB Entry DOI: 10.7270/Q26H4HSP
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50348075
PNG
(CHEMBL1800705)
Show SMILES COc1cccc(NCCC2(CC(C)(C)OC(C)(C)C2)c2ccccc2)c1
Show InChI InChI=1S/C24H33NO2/c1-22(2)17-24(18-23(3,4)27-22,19-10-7-6-8-11-19)14-15-25-20-12-9-13-21(16-20)26-5/h6-13,16,25H,14-15,17-18H2,1-5H3
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n/an/a 1n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...


J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50347394
PNG
(CHEMBL1801566)
Show SMILES CC(C)=CCN(Cc1ccc2ncn(C)c(=O)c2c1)c1ccc(cc1)C(=O)NCc1cccnc1
Show InChI InChI=1S/C28H29N5O2/c1-20(2)12-14-33(18-21-6-11-26-25(15-21)28(35)32(3)19-31-26)24-9-7-23(8-10-24)27(34)30-17-22-5-4-13-29-16-22/h4-13,15-16,19H,14,17-18H2,1-3H3,(H,30,34)
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n/an/a 1.20n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of nicotinamide phosphoribosyltransferase-catalyzed conversion of nicotinamide to nicotinamide mononucleotide


J Med Chem 53: 8734-46 (2010)


Article DOI: 10.1021/jm101145b
BindingDB Entry DOI: 10.7270/Q26H4HSP
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50347407
PNG
(CHEMBL1801561)
Show SMILES Clc1ccccc1CN(CC1CC1)c1ccc(cc1)C(=O)NCc1cccnc1
Show InChI InChI=1S/C24H24ClN3O/c25-23-6-2-1-5-21(23)17-28(16-18-7-8-18)22-11-9-20(10-12-22)24(29)27-15-19-4-3-13-26-14-19/h1-6,9-14,18H,7-8,15-17H2,(H,27,29)
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n/an/a 1.30n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of nicotinamide phosphoribosyltransferase-catalyzed conversion of nicotinamide to nicotinamide mononucleotide


J Med Chem 53: 8734-46 (2010)


Article DOI: 10.1021/jm101145b
BindingDB Entry DOI: 10.7270/Q26H4HSP
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50347415
PNG
(CHEMBL1801552)
Show SMILES CC(C)=CCN(Cc1ccc2nc(C)n(C)c(=O)c2c1)c1ccc(cc1)C(=O)NCc1cccnc1
Show InChI InChI=1S/C29H31N5O2/c1-20(2)13-15-34(19-22-7-12-27-26(16-22)29(36)33(4)21(3)32-27)25-10-8-24(9-11-25)28(35)31-18-23-6-5-14-30-17-23/h5-14,16-17H,15,18-19H2,1-4H3,(H,31,35)
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n/an/a 1.40n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of nicotinamide phosphoribosyltransferase-catalyzed conversion of nicotinamide to nicotinamide mononucleotide


J Med Chem 53: 8734-46 (2010)


Article DOI: 10.1021/jm101145b
BindingDB Entry DOI: 10.7270/Q26H4HSP
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50347391
PNG
(CHEMBL1801563)
Show SMILES C\C=C\CN(Cc1ccccc1Cl)c1ccc(cc1)C(=O)NCc1cccnc1
Show InChI InChI=1S/C24H24ClN3O/c1-2-3-15-28(18-21-8-4-5-9-23(21)25)22-12-10-20(11-13-22)24(29)27-17-19-7-6-14-26-16-19/h2-14,16H,15,17-18H2,1H3,(H,27,29)/b3-2+
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n/an/a 1.5n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of nicotinamide phosphoribosyltransferase-catalyzed conversion of nicotinamide to nicotinamide mononucleotide


J Med Chem 53: 8734-46 (2010)


Article DOI: 10.1021/jm101145b
BindingDB Entry DOI: 10.7270/Q26H4HSP
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50347406
PNG
(CHEMBL1801562)
Show SMILES CC(C)=CCN(Cc1ccccc1Cl)c1ccc(cc1)C(=O)NCc1cccnc1
Show InChI InChI=1S/C25H26ClN3O/c1-19(2)13-15-29(18-22-7-3-4-8-24(22)26)23-11-9-21(10-12-23)25(30)28-17-20-6-5-14-27-16-20/h3-14,16H,15,17-18H2,1-2H3,(H,28,30)
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n/an/a 1.90n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of nicotinamide phosphoribosyltransferase-catalyzed conversion of nicotinamide to nicotinamide mononucleotide


J Med Chem 53: 8734-46 (2010)


Article DOI: 10.1021/jm101145b
BindingDB Entry DOI: 10.7270/Q26H4HSP
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50347395
PNG
(CHEMBL1801567)
Show SMILES CC(C)=CCN(Cc1cc2c(cc1Cl)ncn(C)c2=O)c1ccc(cc1)C(=O)NCc1cccnc1
Show InChI InChI=1S/C28H28ClN5O2/c1-19(2)10-12-34(17-22-13-24-26(14-25(22)29)32-18-33(3)28(24)36)23-8-6-21(7-9-23)27(35)31-16-20-5-4-11-30-15-20/h4-11,13-15,18H,12,16-17H2,1-3H3,(H,31,35)
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n/an/a 2.60n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of nicotinamide phosphoribosyltransferase-catalyzed conversion of nicotinamide to nicotinamide mononucleotide


J Med Chem 53: 8734-46 (2010)


Article DOI: 10.1021/jm101145b
BindingDB Entry DOI: 10.7270/Q26H4HSP
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50347401
PNG
(CHEMBL1801855)
Show SMILES C\C=C\CN(Cc1ccc2nc(C)n(C)c(=O)c2c1)c1ccc(cc1)C(=O)NCc1cccnc1
Show InChI InChI=1S/C28H29N5O2/c1-4-5-15-33(19-21-8-13-26-25(16-21)28(35)32(3)20(2)31-26)24-11-9-23(10-12-24)27(34)30-18-22-7-6-14-29-17-22/h4-14,16-17H,15,18-19H2,1-3H3,(H,30,34)/b5-4+
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n/an/a 2.90n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of nicotinamide phosphoribosyltransferase-catalyzed conversion of nicotinamide to nicotinamide mononucleotide


J Med Chem 53: 8734-46 (2010)


Article DOI: 10.1021/jm101145b
BindingDB Entry DOI: 10.7270/Q26H4HSP
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50347441
PNG
(CHEMBL568305)
Show SMILES O=C(CCCCCCCn1cc(nn1)-c1cccnc1)Nc1ccccc1-c1ccccc1
Show InChI InChI=1S/C27H29N5O/c33-27(29-25-16-9-8-15-24(25)22-12-5-4-6-13-22)17-7-2-1-3-10-19-32-21-26(30-31-32)23-14-11-18-28-20-23/h4-6,8-9,11-16,18,20-21H,1-3,7,10,17,19H2,(H,29,33)
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n/an/a 3n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of nicotinamide phosphoribosyltransferase-mediated decrease in cellular NAD level


J Med Chem 53: 8734-46 (2010)


Article DOI: 10.1021/jm101145b
BindingDB Entry DOI: 10.7270/Q26H4HSP
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50347424
PNG
(CHEMBL1801937)
Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)NCc3cccnc3)cc2c(=O)n1C
Show InChI InChI=1S/C27H25N5O2/c1-4-14-32(18-20-7-12-25-24(15-20)27(34)31(3)19(2)30-25)23-10-8-22(9-11-23)26(33)29-17-21-6-5-13-28-16-21/h1,5-13,15-16H,14,17-18H2,2-3H3,(H,29,33)
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n/an/a 3.60n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of nicotinamide phosphoribosyltransferase-catalyzed conversion of nicotinamide to nicotinamide mononucleotide


J Med Chem 53: 8734-46 (2010)


Article DOI: 10.1021/jm101145b
BindingDB Entry DOI: 10.7270/Q26H4HSP
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50347430
PNG
(CHEMBL1801861)
Show SMILES Cn1cnc2cc(Cl)c(NCc3ccc(cc3)C(=O)NCc3cccnc3)cc2c1=O
Show InChI InChI=1S/C23H20ClN5O2/c1-29-14-28-20-10-19(24)21(9-18(20)23(29)31)26-12-15-4-6-17(7-5-15)22(30)27-13-16-3-2-8-25-11-16/h2-11,14,26H,12-13H2,1H3,(H,27,30)
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n/an/a 3.80n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of nicotinamide phosphoribosyltransferase-catalyzed conversion of nicotinamide to nicotinamide mononucleotide


J Med Chem 53: 8734-46 (2010)


Article DOI: 10.1021/jm101145b
BindingDB Entry DOI: 10.7270/Q26H4HSP
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50348068
PNG
(CHEMBL1800516)
Show SMILES CC1(C)CC(CCNc2cccc(Cl)c2)(CCO1)c1cccs1
Show InChI InChI=1S/C19H24ClNOS/c1-18(2)14-19(9-11-22-18,17-7-4-12-23-17)8-10-21-16-6-3-5-15(20)13-16/h3-7,12-13,21H,8-11,14H2,1-2H3
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n/an/a 3.80n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...


J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50347408
PNG
(CHEMBL1801560)
Show SMILES Clc1ccccc1CN(CC#C)c1ccc(cc1)C(=O)NCc1cccnc1
Show InChI InChI=1S/C23H20ClN3O/c1-2-14-27(17-20-7-3-4-8-22(20)24)21-11-9-19(10-12-21)23(28)26-16-18-6-5-13-25-15-18/h1,3-13,15H,14,16-17H2,(H,26,28)
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n/an/a 4.20n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of nicotinamide phosphoribosyltransferase-catalyzed conversion of nicotinamide to nicotinamide mononucleotide


J Med Chem 53: 8734-46 (2010)


Article DOI: 10.1021/jm101145b
BindingDB Entry DOI: 10.7270/Q26H4HSP
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50347442
PNG
(CHEMBL1801559)
Show SMILES CC(C)CCN(Cc1ccccc1Cl)c1ccc(cc1)C(=O)NCc1cccnc1
Show InChI InChI=1S/C25H28ClN3O/c1-19(2)13-15-29(18-22-7-3-4-8-24(22)26)23-11-9-21(10-12-23)25(30)28-17-20-6-5-14-27-16-20/h3-12,14,16,19H,13,15,17-18H2,1-2H3,(H,28,30)
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n/an/a 6.10n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of nicotinamide phosphoribosyltransferase-catalyzed conversion of nicotinamide to nicotinamide mononucleotide


J Med Chem 53: 8734-46 (2010)


Article DOI: 10.1021/jm101145b
BindingDB Entry DOI: 10.7270/Q26H4HSP
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50348065
PNG
(CHEMBL1800513)
Show SMILES COc1cccc(NCCC2(CCOC(C)(C)C2)c2cccc(F)c2)c1
Show InChI InChI=1S/C22H28FNO2/c1-21(2)16-22(11-13-26-21,17-6-4-7-18(23)14-17)10-12-24-19-8-5-9-20(15-19)25-3/h4-9,14-15,24H,10-13,16H2,1-3H3
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n/an/a 8n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...


J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50348085
PNG
(CHEMBL1800715)
Show SMILES COc1cccc(NCC[C@]2(CCOC(C)(C)C2)c2ccccc2)c1
Show InChI InChI=1S/C22H29NO2/c1-21(2)17-22(13-15-25-21,18-8-5-4-6-9-18)12-14-23-19-10-7-11-20(16-19)24-3/h4-11,16,23H,12-15,17H2,1-3H3/t22-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...


J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50347426
PNG
(CHEMBL1801935)
Show SMILES CC(C)=CCN(Cc1cc2c(cc1Cl)nc(C)n(C)c2=O)c1ccc(cc1)C(=O)NCc1cccnc1
Show InChI InChI=1S/C29H30ClN5O2/c1-19(2)11-13-35(18-23-14-25-27(15-26(23)30)33-20(3)34(4)29(25)37)24-9-7-22(8-10-24)28(36)32-17-21-6-5-12-31-16-21/h5-12,14-16H,13,17-18H2,1-4H3,(H,32,36)
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n/an/a 11n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of nicotinamide phosphoribosyltransferase-catalyzed conversion of nicotinamide to nicotinamide mononucleotide


J Med Chem 53: 8734-46 (2010)


Article DOI: 10.1021/jm101145b
BindingDB Entry DOI: 10.7270/Q26H4HSP
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50347393
PNG
(CHEMBL1801565)
Show SMILES Cn1cnc2ccc(CN(CC#C)c3ccc(cc3)C(=O)NCc3cccnc3)cc2c1=O
Show InChI InChI=1S/C26H23N5O2/c1-3-13-31(17-19-6-11-24-23(14-19)26(33)30(2)18-29-24)22-9-7-21(8-10-22)25(32)28-16-20-5-4-12-27-15-20/h1,4-12,14-15,18H,13,16-17H2,2H3,(H,28,32)
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n/an/a 12n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of nicotinamide phosphoribosyltransferase-catalyzed conversion of nicotinamide to nicotinamide mononucleotide


J Med Chem 53: 8734-46 (2010)


Article DOI: 10.1021/jm101145b
BindingDB Entry DOI: 10.7270/Q26H4HSP
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50347398
PNG
(CHEMBL1801570)
Show SMILES Cn1cnc2cc(Cl)c(CN(CCC#C)c3ccc(cc3)C(=O)NCc3cccnc3)cc2c1=O
Show InChI InChI=1S/C27H24ClN5O2/c1-3-4-12-33(17-21-13-23-25(14-24(21)28)31-18-32(2)27(23)35)22-9-7-20(8-10-22)26(34)30-16-19-6-5-11-29-15-19/h1,5-11,13-15,18H,4,12,16-17H2,2H3,(H,30,34)
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n/an/a 12n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of nicotinamide phosphoribosyltransferase-catalyzed conversion of nicotinamide to nicotinamide mononucleotide


J Med Chem 53: 8734-46 (2010)


Article DOI: 10.1021/jm101145b
BindingDB Entry DOI: 10.7270/Q26H4HSP
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50347429
PNG
(CHEMBL1801860)
Show SMILES Cn1cnc2cc(Cl)c(cc2c1=O)C(=O)Nc1ccc(cc1)C(=O)NCc1cccnc1
Show InChI InChI=1S/C23H18ClN5O3/c1-29-13-27-20-10-19(24)17(9-18(20)23(29)32)22(31)28-16-6-4-15(5-7-16)21(30)26-12-14-3-2-8-25-11-14/h2-11,13H,12H2,1H3,(H,26,30)(H,28,31)
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n/an/a 12n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of nicotinamide phosphoribosyltransferase-catalyzed conversion of nicotinamide to nicotinamide mononucleotide


J Med Chem 53: 8734-46 (2010)


Article DOI: 10.1021/jm101145b
BindingDB Entry DOI: 10.7270/Q26H4HSP
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50347396
PNG
(CHEMBL1801568)
Show SMILES Cn1cnc2cc(Cl)c(CN(CC3CC3)c3ccc(cc3)C(=O)NCc3cccnc3)cc2c1=O
Show InChI InChI=1S/C27H26ClN5O2/c1-32-17-31-25-12-24(28)21(11-23(25)27(32)35)16-33(15-18-4-5-18)22-8-6-20(7-9-22)26(34)30-14-19-3-2-10-29-13-19/h2-3,6-13,17-18H,4-5,14-16H2,1H3,(H,30,34)
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n/an/a 13n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of nicotinamide phosphoribosyltransferase-catalyzed conversion of nicotinamide to nicotinamide mononucleotide


J Med Chem 53: 8734-46 (2010)


Article DOI: 10.1021/jm101145b
BindingDB Entry DOI: 10.7270/Q26H4HSP
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50348029
PNG
(CHEMBL1800426)
Show SMILES COc1cccc(NCCC2(CCOC(C)(C)C2)c2ccccc2)c1
Show InChI InChI=1S/C22H29NO2/c1-21(2)17-22(13-15-25-21,18-8-5-4-6-9-18)12-14-23-19-10-7-11-20(16-19)24-3/h4-11,16,23H,12-15,17H2,1-3H3
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n/an/a 15n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...


J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50347411
PNG
(CHEMBL1801556)
Show SMILES CCCN(Cc1ccccc1Cl)c1ccc(cc1)C(=O)NCc1cccnc1
Show InChI InChI=1S/C23H24ClN3O/c1-2-14-27(17-20-7-3-4-8-22(20)24)21-11-9-19(10-12-21)23(28)26-16-18-6-5-13-25-15-18/h3-13,15H,2,14,16-17H2,1H3,(H,26,28)
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n/an/a 15n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of nicotinamide phosphoribosyltransferase-catalyzed conversion of nicotinamide to nicotinamide mononucleotide


J Med Chem 53: 8734-46 (2010)


Article DOI: 10.1021/jm101145b
BindingDB Entry DOI: 10.7270/Q26H4HSP
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50348074
PNG
(CHEMBL1800522)
Show SMILES CC1(C)CC(CCNc2ccccc2)(CC(C)(C)O1)c1ccccc1
Show InChI InChI=1S/C23H31NO/c1-21(2)17-23(18-22(3,4)25-21,19-11-7-5-8-12-19)15-16-24-20-13-9-6-10-14-20/h5-14,24H,15-18H2,1-4H3
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n/an/a 15n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...


J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50348066
PNG
(CHEMBL1800514)
Show SMILES COc1cccc(NCCC2(CCOC(C)(C)C2)c2cccs2)c1
Show InChI InChI=1S/C20H27NO2S/c1-19(2)15-20(10-12-23-19,18-8-5-13-24-18)9-11-21-16-6-4-7-17(14-16)22-3/h4-8,13-14,21H,9-12,15H2,1-3H3
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n/an/a 19n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...


J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50347425
PNG
(CHEMBL1801936)
Show SMILES CC(C)=CCN(Cc1cc2c(cc1Cl)nc(C)n(C)c2=O)c1ccc(cc1)C(=O)NCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C31H31ClN6O2/c1-19(2)13-14-38(18-22-15-24-28(16-25(22)32)34-20(3)37(4)31(24)40)23-11-9-21(10-12-23)30(39)33-17-29-35-26-7-5-6-8-27(26)36-29/h5-13,15-16H,14,17-18H2,1-4H3,(H,33,39)(H,35,36)
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n/an/a 25n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of nicotinamide phosphoribosyltransferase-catalyzed conversion of nicotinamide to nicotinamide mononucleotide


J Med Chem 53: 8734-46 (2010)


Article DOI: 10.1021/jm101145b
BindingDB Entry DOI: 10.7270/Q26H4HSP
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50348051
PNG
(CHEMBL1800498)
Show SMILES CC1(C)CC(CCNc2ccc(F)c(Cl)c2)(CCO1)c1ccccc1
Show InChI InChI=1S/C21H25ClFNO/c1-20(2)15-21(11-13-25-20,16-6-4-3-5-7-16)10-12-24-17-8-9-19(23)18(22)14-17/h3-9,14,24H,10-13,15H2,1-2H3
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n/an/a 25n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...


J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50348038
PNG
(CHEMBL1800485)
Show SMILES CC1(C)CC(CCNc2cccc(Cl)c2)(CCO1)c1ccccc1
Show InChI InChI=1S/C21H26ClNO/c1-20(2)16-21(12-14-24-20,17-7-4-3-5-8-17)11-13-23-19-10-6-9-18(22)15-19/h3-10,15,23H,11-14,16H2,1-2H3
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n/an/a 25n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...


J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50348054
PNG
(CHEMBL1800501)
Show SMILES CC1(C)CC(CCNc2cccc(c2)[N+]([O-])=O)(CCO1)c1ccccc1
Show InChI InChI=1S/C21H26N2O3/c1-20(2)16-21(12-14-26-20,17-7-4-3-5-8-17)11-13-22-18-9-6-10-19(15-18)23(24)25/h3-10,15,22H,11-14,16H2,1-2H3
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n/an/a 26n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...


J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM81394
PNG
(MPI-0482594)
Show SMILES Cn1c(CN2CCN(CCN)CC2)nc2cc(Cl)c(CN(CC#C)c3ccc(cc3)C(=O)NCc3ccccn3)cc2c1=O
Show InChI InChI=1S/C33H37ClN8O2/c1-3-13-42(27-9-7-24(8-10-27)32(43)37-21-26-6-4-5-12-36-26)22-25-19-28-30(20-29(25)34)38-31(39(2)33(28)44)23-41-17-15-40(14-11-35)16-18-41/h1,4-10,12,19-20H,11,13-18,21-23,35H2,2H3,(H,37,43)
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n/an/a 29n/an/an/an/an/an/a



Myriad Pharmaceuticals



Assay Description
In vitro inhibition assay using human nampt, NMN adenylytransferase (nmant1)and UDP-glucose dehdryogenase (ugdh) genes.


Chem Biol 17: 659-64 (2010)


Article DOI: 10.1016/j.chembiol.2010.05.008
BindingDB Entry DOI: 10.7270/Q2VT1QJW
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50347439
PNG
(CHEMBL1801870)
Show SMILES Cc1nc2CCN(Cc2c(=O)[nH]1)C(=O)Nc1ccc(cc1)C(=O)NCc1cccnc1
Show InChI InChI=1S/C22H22N6O3/c1-14-25-19-8-10-28(13-18(19)21(30)26-14)22(31)27-17-6-4-16(5-7-17)20(29)24-12-15-3-2-9-23-11-15/h2-7,9,11H,8,10,12-13H2,1H3,(H,24,29)(H,27,31)(H,25,26,30)
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n/an/a 29n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of nicotinamide phosphoribosyltransferase-catalyzed conversion of nicotinamide to nicotinamide mononucleotide


J Med Chem 53: 8734-46 (2010)


Article DOI: 10.1021/jm101145b
BindingDB Entry DOI: 10.7270/Q26H4HSP
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50347444
PNG
(CHEMBL1801550)
Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)NCc3ccc(F)c(F)c3)cc2c(=O)n1C
Show InChI InChI=1S/C28H24F2N4O2/c1-4-13-34(17-20-6-12-26-23(14-20)28(36)33(3)18(2)32-26)22-9-7-21(8-10-22)27(35)31-16-19-5-11-24(29)25(30)15-19/h1,5-12,14-15H,13,16-17H2,2-3H3,(H,31,35)
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n/an/a 30n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of nicotinamide phosphoribosyltransferase-catalyzed conversion of nicotinamide to nicotinamide mononucleotide


J Med Chem 53: 8734-46 (2010)


Article DOI: 10.1021/jm101145b
BindingDB Entry DOI: 10.7270/Q26H4HSP
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50347414
PNG
(CHEMBL1801553)
Show SMILES CC(C)=CCN(Cc1ccc2nc(C)n(C)c(=O)c2c1)c1ccc(cc1)C(=O)NCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C31H32N6O2/c1-20(2)15-16-37(19-22-9-14-26-25(17-22)31(39)36(4)21(3)33-26)24-12-10-23(11-13-24)30(38)32-18-29-34-27-7-5-6-8-28(27)35-29/h5-15,17H,16,18-19H2,1-4H3,(H,32,38)(H,34,35)
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n/an/a 31n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of nicotinamide phosphoribosyltransferase-catalyzed conversion of nicotinamide to nicotinamide mononucleotide


J Med Chem 53: 8734-46 (2010)


Article DOI: 10.1021/jm101145b
BindingDB Entry DOI: 10.7270/Q26H4HSP
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50348021
PNG
(CHEMBL1800418)
Show SMILES Cc1ccc(NCCC2(CCOC(C)(C)C2)c2ccccc2)cc1
Show InChI InChI=1S/C22H29NO/c1-18-9-11-20(12-10-18)23-15-13-22(19-7-5-4-6-8-19)14-16-24-21(2,3)17-22/h4-12,23H,13-17H2,1-3H3
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n/an/a 31n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...


J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50348020
PNG
(CHEMBL1800417)
Show SMILES Cc1cccc(NCCC2(CCOC(C)(C)C2)c2ccccc2)c1
Show InChI InChI=1S/C22H29NO/c1-18-8-7-11-20(16-18)23-14-12-22(19-9-5-4-6-10-19)13-15-24-21(2,3)17-22/h4-11,16,23H,12-15,17H2,1-3H3
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n/an/a 31n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...


J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50348049
PNG
(CHEMBL1800496)
Show SMILES COc1c(F)cc(NCCC2(CCOC(C)(C)C2)c2ccccc2)cc1F
Show InChI InChI=1S/C22H27F2NO2/c1-21(2)15-22(10-12-27-21,16-7-5-4-6-8-16)9-11-25-17-13-18(23)20(26-3)19(24)14-17/h4-8,13-14,25H,9-12,15H2,1-3H3
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n/an/a 31n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...


J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50348052
PNG
(CHEMBL1800499)
Show SMILES CC1(C)CC(CCNc2cc(Cl)ccc2F)(CCO1)c1ccccc1
Show InChI InChI=1S/C21H25ClFNO/c1-20(2)15-21(11-13-25-20,16-6-4-3-5-7-16)10-12-24-19-14-17(22)8-9-18(19)23/h3-9,14,24H,10-13,15H2,1-2H3
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n/an/a 32n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...


J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50347420
PNG
(CHEMBL1801941)
Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)NCc3ccccc3F)cc2c(=O)n1C
Show InChI InChI=1S/C28H25FN4O2/c1-4-15-33(18-20-9-14-26-24(16-20)28(35)32(3)19(2)31-26)23-12-10-21(11-13-23)27(34)30-17-22-7-5-6-8-25(22)29/h1,5-14,16H,15,17-18H2,2-3H3,(H,30,34)
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n/an/a 34n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of nicotinamide phosphoribosyltransferase-catalyzed conversion of nicotinamide to nicotinamide mononucleotide


J Med Chem 53: 8734-46 (2010)


Article DOI: 10.1021/jm101145b
BindingDB Entry DOI: 10.7270/Q26H4HSP
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50348024
PNG
(CHEMBL1800421)
Show SMILES CCc1cccc(NCCC2(CCOC(C)(C)C2)c2ccccc2)c1
Show InChI InChI=1S/C23H31NO/c1-4-19-9-8-12-21(17-19)24-15-13-23(20-10-6-5-7-11-20)14-16-25-22(2,3)18-23/h5-12,17,24H,4,13-16,18H2,1-3H3
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n/an/a 40n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su...


J Med Chem 54: 5031-47 (2011)


Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50347443
PNG
(CHEMBL1801933)
Show SMILES Cc1nc2cc(Cl)c(CN(CC#C)c3ccc(cc3)C(=O)NCc3nc4ccccc4[nH]3)cc2c(=O)n1C
Show InChI InChI=1S/C29H25ClN6O2/c1-4-13-36(17-20-14-22-26(15-23(20)30)32-18(2)35(3)29(22)38)21-11-9-19(10-12-21)28(37)31-16-27-33-24-7-5-6-8-25(24)34-27/h1,5-12,14-15H,13,16-17H2,2-3H3,(H,31,37)(H,33,34)
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n/an/a 40n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of nicotinamide phosphoribosyltransferase-catalyzed conversion of nicotinamide to nicotinamide mononucleotide


J Med Chem 53: 8734-46 (2010)


Article DOI: 10.1021/jm101145b
BindingDB Entry DOI: 10.7270/Q26H4HSP
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50347419
PNG
(CHEMBL1801547)
Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)NCc3ccc(F)cc3F)cc2c(=O)n1C
Show InChI InChI=1S/C28H24F2N4O2/c1-4-13-34(17-19-5-12-26-24(14-19)28(36)33(3)18(2)32-26)23-10-7-20(8-11-23)27(35)31-16-21-6-9-22(29)15-25(21)30/h1,5-12,14-15H,13,16-17H2,2-3H3,(H,31,35)
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n/an/a 49n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of nicotinamide phosphoribosyltransferase-catalyzed conversion of nicotinamide to nicotinamide mononucleotide


J Med Chem 53: 8734-46 (2010)


Article DOI: 10.1021/jm101145b
BindingDB Entry DOI: 10.7270/Q26H4HSP
More data for this
Ligand-Target Pair
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