Found 187 hits with Last Name = 'slattum' and Initial = 'p' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50347432
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.310 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL1801864)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7](-[#6]-c1cc2c(cc1Cl)nnn(-[#6])c2=O)-c1ccc(cc1)-[#6](=O)-[#7]-[#6]-c1cccnc1 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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.450 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.550 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.790 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50386829
(CHEMBL2047956)Show SMILES CCOc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCOCC1 Show InChI InChI=1S/C23H31N7O2/c1-2-32-19-14-17(30-10-12-31-13-11-30)8-9-18(19)27-23-28-21-20(24-15-25-21)22(29-23)26-16-6-4-3-5-7-16/h8-9,14-16H,2-7,10-13H2,1H3,(H3,24,25,26,27,28,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Myrexis Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Mps1 |
Bioorg Med Chem Lett 22: 4377-85 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.131
BindingDB Entry DOI: 10.7270/Q2PZ59V9 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50386825
(CHEMBL2047952)Show SMILES FC(F)(F)Oc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCOCC1 Show InChI InChI=1S/C22H26F3N7O2/c23-22(24,25)34-17-12-15(32-8-10-33-11-9-32)6-7-16(17)29-21-30-19-18(26-13-27-19)20(31-21)28-14-4-2-1-3-5-14/h6-7,12-14H,1-5,8-11H2,(H3,26,27,28,29,30,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Myrexis Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Mps1 |
Bioorg Med Chem Lett 22: 4377-85 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.131
BindingDB Entry DOI: 10.7270/Q2PZ59V9 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50386830
(CHEMBL2047958)Show SMILES COc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCNCC1 Show InChI InChI=1S/C22H30N8O/c1-31-18-13-16(30-11-9-23-10-12-30)7-8-17(18)27-22-28-20-19(24-14-25-20)21(29-22)26-15-5-3-2-4-6-15/h7-8,13-15,23H,2-6,9-12H2,1H3,(H3,24,25,26,27,28,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Myrexis Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Mps1 |
Bioorg Med Chem Lett 22: 4377-85 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.131
BindingDB Entry DOI: 10.7270/Q2PZ59V9 |
More data for this
Ligand-Target Pair | |
Protein-S-isoprenylcysteine O-methyltransferase
(Homo sapiens (Human)) | BDBM50348075
(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 | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50386824
(CHEMBL2047951)Show SMILES Cc1cc(ccc1Nc1nc(NC2CCC(O)CC2)c2[nH]cnc2n1)N1CCOCC1 |(42.48,-14.05,;42.49,-12.51,;43.82,-11.74,;43.82,-10.2,;42.48,-9.43,;41.15,-10.2,;41.16,-11.73,;39.82,-12.5,;38.49,-11.73,;38.49,-10.19,;37.16,-9.41,;37.16,-7.87,;38.5,-7.1,;39.84,-7.88,;41.17,-7.12,;41.18,-5.58,;42.52,-4.82,;39.85,-4.81,;38.5,-5.57,;35.83,-10.18,;34.36,-9.7,;33.45,-10.95,;34.36,-12.21,;35.83,-11.73,;37.16,-12.49,;45.16,-9.43,;46.5,-10.21,;47.83,-9.44,;47.84,-7.9,;46.5,-7.13,;45.16,-7.89,)| Show InChI InChI=1S/C22H29N7O2/c1-14-12-16(29-8-10-31-11-9-29)4-7-18(14)26-22-27-20-19(23-13-24-20)21(28-22)25-15-2-5-17(30)6-3-15/h4,7,12-13,15,17,30H,2-3,5-6,8-11H2,1H3,(H3,23,24,25,26,27,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Myrexis Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Mps1 |
Bioorg Med Chem Lett 22: 4377-85 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.131
BindingDB Entry DOI: 10.7270/Q2PZ59V9 |
More data for this
Ligand-Target Pair | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50347394
(CHEMBL1801566)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7](-[#6]-c1ccc2ncn(-[#6])c(=O)c2c1)-c1ccc(cc1)-[#6](=O)-[#7]-[#6]-c1cccnc1 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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL1801552)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7](-[#6]-c1ccc2nc(-[#6])n(-[#6])c(=O)c2c1)-c1ccc(cc1)-[#6](=O)-[#7]-[#6]-c1cccnc1 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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/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
(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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL1801562)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7](-[#6]-c1ccccc1Cl)-c1ccc(cc1)-[#6](=O)-[#7]-[#6]-c1cccnc1 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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50386831
(CHEMBL2047959)Show SMILES COc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C23H32N8O3S/c1-34-19-14-17(30-10-12-31(13-11-30)35(2,32)33)8-9-18(19)27-23-28-21-20(24-15-25-21)22(29-23)26-16-6-4-3-5-7-16/h8-9,14-16H,3-7,10-13H2,1-2H3,(H3,24,25,26,27,28,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Myrexis Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Mps1 |
Bioorg Med Chem Lett 22: 4377-85 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.131
BindingDB Entry DOI: 10.7270/Q2PZ59V9 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50386832
(CHEMBL2047960)Show SMILES COc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCN(CC1)S(=O)(=O)CCCN1CCOCC1 Show InChI InChI=1S/C29H43N9O4S/c1-41-25-20-23(37-11-13-38(14-12-37)43(39,40)19-5-10-36-15-17-42-18-16-36)8-9-24(25)33-29-34-27-26(30-21-31-27)28(35-29)32-22-6-3-2-4-7-22/h8-9,20-22H,2-7,10-19H2,1H3,(H3,30,31,32,33,34,35) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Myrexis Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Mps1 |
Bioorg Med Chem Lett 22: 4377-85 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.131
BindingDB Entry DOI: 10.7270/Q2PZ59V9 |
More data for this
Ligand-Target Pair | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50347395
(CHEMBL1801567)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7](-[#6]-c1cc2c(cc1Cl)ncn(-[#6])c2=O)-c1ccc(cc1)-[#6](=O)-[#7]-[#6]-c1cccnc1 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) | PDB
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| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/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
(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+ | PDB
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| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50386833
(CHEMBL2047961)Show SMILES COc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCN(CC1)C(=O)C1CCC(O)CC1 |(-7.77,-48.92,;-6.44,-48.15,;-6.43,-46.61,;-5.1,-45.85,;-5.1,-44.3,;-6.44,-43.53,;-7.77,-44.3,;-7.76,-45.84,;-9.1,-46.61,;-10.43,-45.83,;-10.43,-44.29,;-11.77,-43.52,;-11.76,-41.98,;-10.42,-41.21,;-9.09,-41.99,;-7.75,-41.23,;-7.74,-39.69,;-9.07,-38.91,;-10.42,-39.68,;-13.09,-44.29,;-14.57,-43.81,;-15.48,-45.06,;-14.57,-46.31,;-13.09,-45.83,;-11.77,-46.6,;-3.76,-43.54,;-2.42,-44.31,;-1.1,-43.55,;-1.09,-42.01,;-2.42,-41.23,;-3.76,-42,;.25,-41.24,;.26,-39.7,;1.58,-42.02,;1.57,-43.56,;2.89,-44.33,;4.23,-43.57,;5.56,-44.35,;4.24,-42.03,;2.91,-41.25,)| Show InChI InChI=1S/C29H40N8O3/c1-40-24-17-21(36-13-15-37(16-14-36)28(39)19-7-10-22(38)11-8-19)9-12-23(24)33-29-34-26-25(30-18-31-26)27(35-29)32-20-5-3-2-4-6-20/h9,12,17-20,22,38H,2-8,10-11,13-16H2,1H3,(H3,30,31,32,33,34,35) | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Myrexis Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Mps1 |
Bioorg Med Chem Lett 22: 4377-85 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.131
BindingDB Entry DOI: 10.7270/Q2PZ59V9 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50386834
(CHEMBL2047962)Show SMILES COc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCN(CC1)C(=O)N1CCN(C)CC1 Show InChI InChI=1S/C28H40N10O2/c1-35-10-12-37(13-11-35)28(39)38-16-14-36(15-17-38)21-8-9-22(23(18-21)40-2)32-27-33-25-24(29-19-30-25)26(34-27)31-20-6-4-3-5-7-20/h8-9,18-20H,3-7,10-17H2,1-2H3,(H3,29,30,31,32,33,34) | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Myrexis Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Mps1 |
Bioorg Med Chem Lett 22: 4377-85 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.131
BindingDB Entry DOI: 10.7270/Q2PZ59V9 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50386836
(CHEMBL2047964)Show SMILES COc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCN(CC1)C(=O)c1ccccn1 Show InChI InChI=1S/C28H33N9O2/c1-39-23-17-20(36-13-15-37(16-14-36)27(38)22-9-5-6-12-29-22)10-11-21(23)33-28-34-25-24(30-18-31-25)26(35-28)32-19-7-3-2-4-8-19/h5-6,9-12,17-19H,2-4,7-8,13-16H2,1H3,(H3,30,31,32,33,34,35) | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Myrexis Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Mps1 |
Bioorg Med Chem Lett 22: 4377-85 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.131
BindingDB Entry DOI: 10.7270/Q2PZ59V9 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50386844
(CHEMBL2047972)Show SMILES COc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCC(CC(=O)N2CCOCC2)CC1 Show InChI InChI=1S/C29H40N8O3/c1-39-24-18-22(36-11-9-20(10-12-36)17-25(38)37-13-15-40-16-14-37)7-8-23(24)33-29-34-27-26(30-19-31-27)28(35-29)32-21-5-3-2-4-6-21/h7-8,18-21H,2-6,9-17H2,1H3,(H3,30,31,32,33,34,35) | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Myrexis Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Mps1 |
Bioorg Med Chem Lett 22: 4377-85 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.131
BindingDB Entry DOI: 10.7270/Q2PZ59V9 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50386814
(CHEMBL2047957)Show SMILES FC(F)(F)c1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCOCC1 Show InChI InChI=1S/C22H26F3N7O/c23-22(24,25)16-12-15(32-8-10-33-11-9-32)6-7-17(16)29-21-30-19-18(26-13-27-19)20(31-21)28-14-4-2-1-3-5-14/h6-7,12-14H,1-5,8-11H2,(H3,26,27,28,29,30,31) | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Myrexis Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Mps1 |
Bioorg Med Chem Lett 22: 4377-85 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.131
BindingDB Entry DOI: 10.7270/Q2PZ59V9 |
More data for this
Ligand-Target Pair | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50347441
(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) | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
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| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Protein-S-isoprenylcysteine O-methyltransferase
(Homo sapiens (Human)) | BDBM50348068
(CHEMBL1800516)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 | KEGG
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| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50347430
(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) | PDB
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| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50386841
(CHEMBL2047969)Show SMILES COc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCC(CC1)C(=O)N1CCC(C1)N(C)C Show InChI InChI=1S/C30H43N9O2/c1-37(2)23-13-16-39(18-23)29(40)20-11-14-38(15-12-20)22-9-10-24(25(17-22)41-3)34-30-35-27-26(31-19-32-27)28(36-30)33-21-7-5-4-6-8-21/h9-10,17,19-21,23H,4-8,11-16,18H2,1-3H3,(H3,31,32,33,34,35,36) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Myrexis Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Mps1 |
Bioorg Med Chem Lett 22: 4377-85 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.131
BindingDB Entry DOI: 10.7270/Q2PZ59V9 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50386842
(CHEMBL2047970)Show SMILES COc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCC(CC1)C(=O)N1CCOCC1 Show InChI InChI=1S/C28H38N8O3/c1-38-23-17-21(35-11-9-19(10-12-35)27(37)36-13-15-39-16-14-36)7-8-22(23)32-28-33-25-24(29-18-30-25)26(34-28)31-20-5-3-2-4-6-20/h7-8,17-20H,2-6,9-16H2,1H3,(H3,29,30,31,32,33,34) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Myrexis Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Mps1 |
Bioorg Med Chem Lett 22: 4377-85 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.131
BindingDB Entry DOI: 10.7270/Q2PZ59V9 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50386846
(CHEMBL2048079)Show SMILES CCN(CC)CC1CCN(CC1)c1ccc(Nc2nc(NC3CCCCC3)c3[nH]cnc3n2)c(OC)c1 Show InChI InChI=1S/C28H42N8O/c1-4-35(5-2)18-20-13-15-36(16-14-20)22-11-12-23(24(17-22)37-3)32-28-33-26-25(29-19-30-26)27(34-28)31-21-9-7-6-8-10-21/h11-12,17,19-21H,4-10,13-16,18H2,1-3H3,(H3,29,30,31,32,33,34) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Myrexis Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Mps1 |
Bioorg Med Chem Lett 22: 4377-85 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.131
BindingDB Entry DOI: 10.7270/Q2PZ59V9 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50386828
(CHEMBL2047955)Show SMILES COc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCOCC1 Show InChI InChI=1S/C22H29N7O2/c1-30-18-13-16(29-9-11-31-12-10-29)7-8-17(18)26-22-27-20-19(23-14-24-20)21(28-22)25-15-5-3-2-4-6-15/h7-8,13-15H,2-6,9-12H2,1H3,(H3,23,24,25,26,27,28) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Myrexis Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Mps1 |
Bioorg Med Chem Lett 22: 4377-85 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.131
BindingDB Entry DOI: 10.7270/Q2PZ59V9 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50386848
(CHEMBL2048082)Show SMILES COc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCC(CC1)C(=O)N1CC(O)C1 Show InChI InChI=1S/C27H36N8O3/c1-38-22-13-19(34-11-9-17(10-12-34)26(37)35-14-20(36)15-35)7-8-21(22)31-27-32-24-23(28-16-29-24)25(33-27)30-18-5-3-2-4-6-18/h7-8,13,16-18,20,36H,2-6,9-12,14-15H2,1H3,(H3,28,29,30,31,32,33) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Myrexis Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Mps1 |
Bioorg Med Chem Lett 22: 4377-85 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.131
BindingDB Entry DOI: 10.7270/Q2PZ59V9 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50386816
(CHEMBL2047943)Show SMILES Cc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCOCC1 Show InChI InChI=1S/C22H29N7O/c1-15-13-17(29-9-11-30-12-10-29)7-8-18(15)26-22-27-20-19(23-14-24-20)21(28-22)25-16-5-3-2-4-6-16/h7-8,13-14,16H,2-6,9-12H2,1H3,(H3,23,24,25,26,27,28) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Myrexis Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Mps1 |
Bioorg Med Chem Lett 22: 4377-85 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.131
BindingDB Entry DOI: 10.7270/Q2PZ59V9 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50170831
(CHEMBL188343 | N*6*-Cyclohexyl-N*2*-(4-morpholin-4...)Show SMILES C1CCC(CC1)Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2nc[nH]c12 Show InChI InChI=1S/C21H27N7O/c1-2-4-15(5-3-1)24-20-18-19(23-14-22-18)26-21(27-20)25-16-6-8-17(9-7-16)28-10-12-29-13-11-28/h6-9,14-15H,1-5,10-13H2,(H3,22,23,24,25,26,27) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Myrexis Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Mps1 |
Bioorg Med Chem Lett 22: 4377-85 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.131
BindingDB Entry DOI: 10.7270/Q2PZ59V9 |
More data for this
Ligand-Target Pair | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50347408
(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) | PDB
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| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50386838
(CHEMBL2047966)Show SMILES COc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCN(CC1)C(=O)N1CCC(O)C1 Show InChI InChI=1S/C27H37N9O3/c1-39-22-15-19(34-11-13-35(14-12-34)27(38)36-10-9-20(37)16-36)7-8-21(22)31-26-32-24-23(28-17-29-24)25(33-26)30-18-5-3-2-4-6-18/h7-8,15,17-18,20,37H,2-6,9-14,16H2,1H3,(H3,28,29,30,31,32,33) | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Myrexis Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Mps1 |
Bioorg Med Chem Lett 22: 4377-85 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.131
BindingDB Entry DOI: 10.7270/Q2PZ59V9 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50386845
(CHEMBL2048078)Show SMILES COc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCC(CC(=O)N2CCN(C)CC2)CC1 Show InChI InChI=1S/C30H43N9O2/c1-37-14-16-39(17-15-37)26(40)18-21-10-12-38(13-11-21)23-8-9-24(25(19-23)41-2)34-30-35-28-27(31-20-32-28)29(36-30)33-22-6-4-3-5-7-22/h8-9,19-22H,3-7,10-18H2,1-2H3,(H3,31,32,33,34,35,36) | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Myrexis Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Mps1 |
Bioorg Med Chem Lett 22: 4377-85 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.131
BindingDB Entry DOI: 10.7270/Q2PZ59V9 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50386843
(CHEMBL2047971)Show SMILES COc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCC(CN2CCOCC2)CC1 Show InChI InChI=1S/C28H40N8O2/c1-37-24-17-22(36-11-9-20(10-12-36)18-35-13-15-38-16-14-35)7-8-23(24)32-28-33-26-25(29-19-30-26)27(34-28)31-21-5-3-2-4-6-21/h7-8,17,19-21H,2-6,9-16,18H2,1H3,(H3,29,30,31,32,33,34) | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Myrexis Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Mps1 |
Bioorg Med Chem Lett 22: 4377-85 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.131
BindingDB Entry DOI: 10.7270/Q2PZ59V9 |
More data for this
Ligand-Target Pair | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50347442
(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) | PDB
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| n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50386815
(CHEMBL2048081)Show SMILES COc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCC(CC(=O)N2CCCC2)CC1 Show InChI InChI=1S/C29H40N8O2/c1-39-24-18-22(36-15-11-20(12-16-36)17-25(38)37-13-5-6-14-37)9-10-23(24)33-29-34-27-26(30-19-31-27)28(35-29)32-21-7-3-2-4-8-21/h9-10,18-21H,2-8,11-17H2,1H3,(H3,30,31,32,33,34,35) | PDB
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Myrexis Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Mps1 |
Bioorg Med Chem Lett 22: 4377-85 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.131
BindingDB Entry DOI: 10.7270/Q2PZ59V9 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50386847
(CHEMBL2048080)Show SMILES COc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCC(CC(=O)N2CCC(C2)N(C)C)CC1 Show InChI InChI=1S/C31H45N9O2/c1-38(2)24-13-16-40(19-24)27(41)17-21-11-14-39(15-12-21)23-9-10-25(26(18-23)42-3)35-31-36-29-28(32-20-33-29)30(37-31)34-22-7-5-4-6-8-22/h9-10,18,20-22,24H,4-8,11-17,19H2,1-3H3,(H3,32,33,34,35,36,37) | PDB
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Myrexis Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Mps1 |
Bioorg Med Chem Lett 22: 4377-85 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.131
BindingDB Entry DOI: 10.7270/Q2PZ59V9 |
More data for this
Ligand-Target Pair | |
Protein-S-isoprenylcysteine O-methyltransferase
(Homo sapiens (Human)) | BDBM50348065
(CHEMBL1800513)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 | KEGG
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50386835
(CHEMBL2047963)Show SMILES CNC(=O)C(=O)N1CCN(CC1)c1ccc(Nc2nc(NC3CCCCC3)c3[nH]cnc3n2)c(OC)c1 Show InChI InChI=1S/C25H33N9O3/c1-26-23(35)24(36)34-12-10-33(11-13-34)17-8-9-18(19(14-17)37-2)30-25-31-21-20(27-15-28-21)22(32-25)29-16-6-4-3-5-7-16/h8-9,14-16H,3-7,10-13H2,1-2H3,(H,26,35)(H3,27,28,29,30,31,32) | PDB
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Myrexis Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Mps1 |
Bioorg Med Chem Lett 22: 4377-85 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.131
BindingDB Entry DOI: 10.7270/Q2PZ59V9 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50386839
(CHEMBL2047967)Show SMILES COc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCN(CC2CCOC2)CC1 Show InChI InChI=1S/C27H38N8O2/c1-36-23-15-21(35-12-10-34(11-13-35)16-19-9-14-37-17-19)7-8-22(23)31-27-32-25-24(28-18-29-25)26(33-27)30-20-5-3-2-4-6-20/h7-8,15,18-20H,2-6,9-14,16-17H2,1H3,(H3,28,29,30,31,32,33) | PDB
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Myrexis Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Mps1 |
Bioorg Med Chem Lett 22: 4377-85 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.131
BindingDB Entry DOI: 10.7270/Q2PZ59V9 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50386837
(CHEMBL2047965)Show SMILES COc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCN(Cc2ccccn2)CC1 Show InChI InChI=1S/C28H35N9O/c1-38-24-17-22(37-15-13-36(14-16-37)18-21-9-5-6-12-29-21)10-11-23(24)33-28-34-26-25(30-19-31-26)27(35-28)32-20-7-3-2-4-8-20/h5-6,9-12,17,19-20H,2-4,7-8,13-16,18H2,1H3,(H3,30,31,32,33,34,35) | PDB
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Myrexis Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Mps1 |
Bioorg Med Chem Lett 22: 4377-85 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.131
BindingDB Entry DOI: 10.7270/Q2PZ59V9 |
More data for this
Ligand-Target Pair | |
Protein-S-isoprenylcysteine O-methyltransferase
(Homo sapiens (Human)) | BDBM50348085
(CHEMBL1800715)Show SMILES COc1cccc(NCC[C@]2(CCOC(C)(C)C2)c2ccccc2)c1 |r| 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 | KEGG
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL1801935)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7](-[#6]-c1cc2c(cc1Cl)nc(-[#6])n(-[#6])c2=O)-c1ccc(cc1)-[#6](=O)-[#7]-[#6]-c1cccnc1 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) | PDB
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50386840
(CHEMBL2047968)Show SMILES COc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCC(CC1)N1CCOCC1 Show InChI InChI=1S/C27H38N8O2/c1-36-23-17-21(34-11-9-20(10-12-34)35-13-15-37-16-14-35)7-8-22(23)31-27-32-25-24(28-18-29-25)26(33-27)30-19-5-3-2-4-6-19/h7-8,17-20H,2-6,9-16H2,1H3,(H3,28,29,30,31,32,33) | PDB
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Myrexis Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Mps1 |
Bioorg Med Chem Lett 22: 4377-85 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.131
BindingDB Entry DOI: 10.7270/Q2PZ59V9 |
More data for this
Ligand-Target Pair | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50347393
(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) | PDB
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PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/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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