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16 similar compounds to monomer 50347431

Compile data set for download or QSAR
Wt: 584.1
BDBM81392
Wt: 613.1
BDBM81393
Wt: 613.1
BDBM81394
Wt: 569.0
BDBM50117204
Wt: 557.0
BDBM50117207
Wt: 584.1
BDBM50117198
Purchase
Wt: 502.0
BDBM50347395
Wt: 487.9
BDBM50347396
Wt: 490.9
BDBM50347397
Wt: 485.9
BDBM50347398
Wt: 484.9
BDBM50347417
Wt: 451.5
BDBM50347424
Wt: 516.0
BDBM50347426
Wt: 485.9
BDBM50347427
Wt: 627.1
BDBM50347432
Displayed 1 to 15 (of 16 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 81392,81393,81394,50117204,50117207,50117198,50347395,50347396,50347397,50347398,50347417,50347424,50347426,50347427,50347432   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
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



Universit£ degli Studi del Piemonte Orientale"A. Avogadro"

Curated by ChEMBL


Assay Description
Inhibition of NAMPT (unknown origin)


J Med Chem 56: 6279-96 (2013)


Article DOI: 10.1021/jm4001049
BindingDB Entry DOI: 10.7270/Q25Q4XJ8
More data for this
Ligand-Target Pair
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))
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
Thymidylate synthase


(Mus musculus)
BDBM50117204
PNG
(4-[(7-Chloro-3-methyl-4-oxo-2-piperidin-1-ylmethyl...)
Show SMILES Cn1c(CN2CCCCC2)nc2cc(Cl)c(CN(CC#C)c3ccc(cc3)C(=O)NCc3cccnc3)cc2c1=O
Show InChI InChI=1S/C32H33ClN6O2/c1-3-14-39(26-11-9-24(10-12-26)31(40)35-20-23-8-7-13-34-19-23)21-25-17-27-29(18-28(25)33)36-30(37(2)32(27)41)22-38-15-5-4-6-16-38/h1,7-13,17-19H,4-6,14-16,20-22H2,2H3,(H,35,40)
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n/an/a>50n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Growth inhibitory activity against mouse lymphoblastoid L1210TS cell line was determined as inhibition of thymidylate synthase


J Med Chem 45: 3692-702 (2002)


Article DOI: 10.1021/jm011081s
BindingDB Entry DOI: 10.7270/Q24X5739
More data for this
Ligand-Target Pair
Thymidylate synthase


(Mus musculus)
BDBM50117207
PNG
(4-[(7-Chloro-2-diethylaminomethyl-3-methyl-4-oxo-3...)
Show SMILES CCN(CC)Cc1nc2cc(Cl)c(CN(CC#C)c3ccc(cc3)C(=O)NCc3cccnc3)cc2c(=O)n1C
Show InChI InChI=1S/C31H33ClN6O2/c1-5-15-38(25-12-10-23(11-13-25)30(39)34-19-22-9-8-14-33-18-22)20-24-16-26-28(17-27(24)32)35-29(36(4)31(26)40)21-37(6-2)7-3/h1,8-14,16-18H,6-7,15,19-21H2,2-4H3,(H,34,39)
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n/an/a>50n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Growth inhibitory activity against mouse lymphoblastoid L1210TS cell line was determined as inhibition of thymidylate synthase


J Med Chem 45: 3692-702 (2002)


Article DOI: 10.1021/jm011081s
BindingDB Entry DOI: 10.7270/Q24X5739
More data for this
Ligand-Target Pair
Thymidylate synthase


(Mus musculus)
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>50n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Growth inhibitory activity against mouse lymphoblastoid L1210TS cell line was determined as inhibition of thymidylate synthase


J Med Chem 45: 3692-702 (2002)


Article DOI: 10.1021/jm011081s
BindingDB Entry DOI: 10.7270/Q24X5739
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))
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
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50347397
PNG
(CHEMBL1801569)
Show SMILES Cn1cnc2cc(Cl)c(CN(CC(N)=O)c3ccc(cc3)C(=O)NCc3cccnc3)cc2c1=O
Show InChI InChI=1S/C25H23ClN6O3/c1-31-15-30-22-10-21(26)18(9-20(22)25(31)35)13-32(14-23(27)33)19-6-4-17(5-7-19)24(34)29-12-16-3-2-8-28-11-16/h2-11,15H,12-14H2,1H3,(H2,27,33)(H,29,34)
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n/an/a 56n/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))
BDBM50347417
PNG
(CHEMBL1801549)
Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)NCc3ccc(Cl)cc3)cc2c(=O)n1C
Show InChI InChI=1S/C28H25ClN4O2/c1-4-15-33(18-21-7-14-26-25(16-21)28(35)32(3)19(2)31-26)24-12-8-22(9-13-24)27(34)30-17-20-5-10-23(29)11-6-20/h1,5-14,16H,15,17-18H2,2-3H3,(H,30,34)
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n/an/a 150n/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))
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))
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))
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))
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))
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))
BDBM81392
PNG
(MPI-0482593)
Show SMILES CN1CCN(Cc2nc3cc(Cl)c(CN(CC#C)c4ccc(cc4)C(=O)NCc4ccccn4)cc3c(=O)n2C)CC1
Show InChI InChI=1S/C32H34ClN7O2/c1-4-13-40(26-10-8-23(9-11-26)31(41)35-20-25-7-5-6-12-34-25)21-24-18-27-29(19-28(24)33)36-30(38(3)32(27)42)22-39-16-14-37(2)15-17-39/h1,5-12,18-19H,13-17,20-22H2,2-3H3,(H,35,41)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

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PubMed
n/an/a 74n/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