Found 316 hits with Last Name = 'willardsen' and Initial = 'ja' 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)) | BDBM81396
(GMX1778)Show SMILES Clc1ccc(OCCCCCCNC(NC#N)=Nc2ccncc2)cc1 |w:17.17| 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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.0700 | n/a | n/a | n/a | n/a | n/a | n/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
(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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
| MMDB
PDB
Article
PubMed
| n/a | n/a | 0.140 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM81393
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.170 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | 0.230 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | |
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 | |
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 | |
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
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 | 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
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 | 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 | |
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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| CHEMBL
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UniChem
Similars
| Article
PubMed
| 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
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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
MMDB
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| CHEMBL
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PC sid
UniChem
| Article
PubMed
| 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 | |
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
MMDB
Reactome pathway
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UniChem
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PubMed
| 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 | |
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
MMDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 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 | |
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
(Homo sapiens (Human)) | BDBM50042034
((5Z)-7-Oxozeaenol | 5Z-7-Oxozeaenol | CHEBI:67559 ...)Show SMILES COc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC2=O |r,c:19,t:10| Show InChI InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h3-4,6-7,9-11,15,18,21-23H,5,8H2,1-2H3/b6-4+,7-3-/t11-,15-,18+/m0/s1 | PDB
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| PDB
Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Myrexis, Inc.
Curated by ChEMBL
| Assay Description
Competitive inhibition of recombinant TAK1-TAB1 assessed as [33P]gamma-ATP incorporation into substrate histone H1 peptide by filter plate assay |
Bioorg Med Chem Lett 21: 1724-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.077
BindingDB Entry DOI: 10.7270/Q2988794 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50172214
(6-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)Show SMILES COc1cccc(CNC(=O)c2ccc(Oc3nc(Oc4cccc(c4)C(N)=N)c(F)c(NC(C)CCc4ccccc4)c3F)c(c2)C(O)=O)c1 Show InChI InChI=1S/C38H35F2N5O6/c1-22(14-15-23-8-4-3-5-9-23)44-33-31(39)36(50-28-13-7-11-25(19-28)34(41)42)45-37(32(33)40)51-30-17-16-26(20-29(30)38(47)48)35(46)43-21-24-10-6-12-27(18-24)49-2/h3-13,16-20,22H,14-15,21H2,1-2H3,(H3,41,42)(H,43,46)(H,44,45)(H,47,48) | PDB
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human coagulation factor VIIa/tissue factor cleavage of fluorogenic substrate SN17c at 37 degree C for 15 minutes |
Bioorg Med Chem Lett 15: 4752-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044 |
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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| CHEMBL
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UniChem
Similars
| Article
PubMed
| 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 | |
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
(Homo sapiens (Human)) | BDBM50191935
(CHEMBL1761718)Show SMILES Oc1ccc(cc1)N1C(=O)CS\C1=N/N=C1\C(=O)Nc2ccc(Br)cc12 Show InChI InChI=1S/C17H11BrN4O3S/c18-9-1-6-13-12(7-9)15(16(25)19-13)20-21-17-22(14(24)8-26-17)10-2-4-11(23)5-3-10/h1-7,23H,8H2,(H,19,20,25)/b21-17- | PDB
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| CHEMBL
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Myrexis, Inc.
Curated by ChEMBL
| Assay Description
Competitive inhibition of recombinant TAK1-TAB1 assessed as [33P]gamma-ATP incorporation into substrate histone H1 peptide by filter plate assay |
Bioorg Med Chem Lett 21: 1724-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.077
BindingDB Entry DOI: 10.7270/Q2988794 |
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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| CHEMBL
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PC cid
PC sid
UniChem
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| Article
PubMed
| 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 | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50172213
(6-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)Show SMILES CC(C)CNC(=O)c1ccc(Oc2nc(Oc3cccc(c3)C(N)=N)c(F)c(NC(C)CCc3ccccc3)c2F)c(c1)C(O)=O Show InChI InChI=1S/C34H35F2N5O5/c1-19(2)18-39-31(42)23-14-15-26(25(17-23)34(43)44)46-33-28(36)29(40-20(3)12-13-21-8-5-4-6-9-21)27(35)32(41-33)45-24-11-7-10-22(16-24)30(37)38/h4-11,14-17,19-20H,12-13,18H2,1-3H3,(H3,37,38)(H,39,42)(H,40,41)(H,43,44) | PDB
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| CHEMBL
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UniChem
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PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human coagulation factor VIIa/tissue factor cleavage of fluorogenic substrate SN17c at 37 degree C for 15 minutes |
Bioorg Med Chem Lett 15: 4752-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044 |
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
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50347398
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50347429
(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) | PDB
MMDB
Reactome pathway
KEGG
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
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 | |
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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
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 | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50172227
(2-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)Show SMILES CC(CCc1ccccc1)Nc1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2ccc(cc2C(O)=O)N(C)C)c1F Show InChI InChI=1S/C31H31F2N5O4/c1-18(12-13-19-8-5-4-6-9-19)36-27-25(32)29(41-22-11-7-10-20(16-22)28(34)35)37-30(26(27)33)42-24-15-14-21(38(2)3)17-23(24)31(39)40/h4-11,14-18H,12-13H2,1-3H3,(H3,34,35)(H,36,37)(H,39,40) | PDB
KEGG
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| CHEMBL
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human coagulation factor VIIa/tissue factor cleavage of fluorogenic substrate SN17c at 37 degree C for 15 minutes |
Bioorg Med Chem Lett 15: 4752-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50172227
(2-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)Show SMILES CC(CCc1ccccc1)Nc1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2ccc(cc2C(O)=O)N(C)C)c1F Show InChI InChI=1S/C31H31F2N5O4/c1-18(12-13-19-8-5-4-6-9-19)36-27-25(32)29(41-22-11-7-10-20(16-22)28(34)35)37-30(26(27)33)42-24-15-14-21(38(2)3)17-23(24)31(39)40/h4-11,14-18H,12-13H2,1-3H3,(H3,34,35)(H,36,37)(H,39,40) | PDB
KEGG
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human coagulation factor VIIa/tissue factor cleavage of fluorogenic substrate SN17c at 37 degree C for 15 minutes |
Bioorg Med Chem Lett 15: 4752-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044 |
More data for this
Ligand-Target Pair | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50347396
(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) | PDB
MMDB
Reactome pathway
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| n/a | n/a | 13 | 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 | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50172217
(6-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)Show SMILES CC(CCc1ccccc1)Nc1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2ccc(cc2C(O)=O)C(=O)NC(C)C(C)(C)C)c1F Show InChI InChI=1S/C36H39F2N5O5/c1-20(14-15-22-10-7-6-8-11-22)41-30-28(37)33(47-25-13-9-12-23(18-25)31(39)40)43-34(29(30)38)48-27-17-16-24(19-26(27)35(45)46)32(44)42-21(2)36(3,4)5/h6-13,16-21H,14-15H2,1-5H3,(H3,39,40)(H,41,43)(H,42,44)(H,45,46) | PDB
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human coagulation factor VIIa/tissue factor cleavage of fluorogenic substrate SN17c at 37 degree C for 15 minutes |
Bioorg Med Chem Lett 15: 4752-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044 |
More data for this
Ligand-Target Pair | |
Protein-S-isoprenylcysteine O-methyltransferase
(Homo sapiens (Human)) | BDBM50348074
(CHEMBL1800522)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 | KEGG
UniProtKB/SwissProt
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| CHEMBL
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 15 | 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 | |
Protein-S-isoprenylcysteine O-methyltransferase
(Homo sapiens (Human)) | BDBM50348029
(CHEMBL1800426)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 | KEGG
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PC sid
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Similars
| Article
PubMed
| n/a | n/a | 15 | 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 | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50172212
(2-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)Show SMILES CC(C)c1ccc(Oc2nc(Oc3cccc(c3)C(N)=N)c(F)c(NC(C)CCc3ccccc3)c2F)c(c1)C(O)=O Show InChI InChI=1S/C32H32F2N4O4/c1-18(2)21-14-15-25(24(17-21)32(39)40)42-31-27(34)28(37-19(3)12-13-20-8-5-4-6-9-20)26(33)30(38-31)41-23-11-7-10-22(16-23)29(35)36/h4-11,14-19H,12-13H2,1-3H3,(H3,35,36)(H,37,38)(H,39,40) | PDB
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human coagulation factor VIIa/tissue factor cleavage of fluorogenic substrate SN17c at 37 degree C for 15 minutes |
Bioorg Med Chem Lett 15: 4752-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044 |
More data for this
Ligand-Target Pair | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50347411
(CHEMBL1801556)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) | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 15 | 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 | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50177189
(6-[6-(3-carbamimidoyl-phenoxy)-4-diisopropylamino-...)Show SMILES CC(C)N(C(C)C)c1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2ccc(cc2C(O)=O)C(=O)NC(C)C(C)(C)C)c1F Show InChI InChI=1S/C32H39F2N5O5/c1-16(2)39(17(3)4)26-24(33)29(43-21-11-9-10-19(14-21)27(35)36)38-30(25(26)34)44-23-13-12-20(15-22(23)31(41)42)28(40)37-18(5)32(6,7)8/h9-18H,1-8H3,(H3,35,36)(H,37,40)(H,41,42) | PDB
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant FVIIa/TF complex |
Bioorg Med Chem Lett 16: 1060-4 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.076
BindingDB Entry DOI: 10.7270/Q2Q81DWW |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50172218
(6-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)Show SMILES CC(CCc1ccccc1)Nc1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2ccc(cc2C(O)=O)C(=O)NC(C)(C)CO)c1F Show InChI InChI=1S/C34H35F2N5O6/c1-19(12-13-20-8-5-4-6-9-20)39-28-26(35)31(46-23-11-7-10-21(16-23)29(37)38)40-32(27(28)36)47-25-15-14-22(17-24(25)33(44)45)30(43)41-34(2,3)18-42/h4-11,14-17,19,42H,12-13,18H2,1-3H3,(H3,37,38)(H,39,40)(H,41,43)(H,44,45) | PDB
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human coagulation factor VIIa/tissue factor cleavage of fluorogenic substrate SN17c at 37 degree C for 15 minutes |
Bioorg Med Chem Lett 15: 4752-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50177187
(6-[6-(3-carbamimidoyl-phenoxy)-4-diisopropylamino-...)Show SMILES CC(C)N(C(C)C)c1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2ccc(cc2C(O)=O)C(=O)NCc2ccc(Cl)cc2)c1F Show InChI InChI=1S/C33H32ClF2N5O5/c1-17(2)41(18(3)4)28-26(35)31(45-23-7-5-6-20(14-23)29(37)38)40-32(27(28)36)46-25-13-10-21(15-24(25)33(43)44)30(42)39-16-19-8-11-22(34)12-9-19/h5-15,17-18H,16H2,1-4H3,(H3,37,38)(H,39,42)(H,43,44) | PDB
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PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant FVIIa/TF complex |
Bioorg Med Chem Lett 16: 1060-4 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.076
BindingDB Entry DOI: 10.7270/Q2Q81DWW |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50172225
(2-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)Show SMILES CCN(CC)c1ccc(Oc2nc(Oc3cccc(c3)C(N)=N)c(F)c(NC(C)CCc3ccccc3)c2F)c(c1)C(O)=O Show InChI InChI=1S/C33H35F2N5O4/c1-4-40(5-2)23-16-17-26(25(19-23)33(41)42)44-32-28(35)29(38-20(3)14-15-21-10-7-6-8-11-21)27(34)31(39-32)43-24-13-9-12-22(18-24)30(36)37/h6-13,16-20H,4-5,14-15H2,1-3H3,(H3,36,37)(H,38,39)(H,41,42) | PDB
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human coagulation factor VIIa/tissue factor cleavage of fluorogenic substrate SN17c at 37 degree C for 15 minutes |
Bioorg Med Chem Lett 15: 4752-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50172220
(2-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)Show SMILES CC(C)Oc1ccc(Oc2nc(Oc3cccc(c3)C(N)=N)c(F)c(NC(C)CCc3ccccc3)c2F)c(c1)C(O)=O Show InChI InChI=1S/C32H32F2N4O5/c1-18(2)41-23-14-15-25(24(17-23)32(39)40)43-31-27(34)28(37-19(3)12-13-20-8-5-4-6-9-20)26(33)30(38-31)42-22-11-7-10-21(16-22)29(35)36/h4-11,14-19H,12-13H2,1-3H3,(H3,35,36)(H,37,38)(H,39,40) | PDB
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human coagulation factor VIIa/tissue factor cleavage of fluorogenic substrate SN17c at 37 degree C for 15 minutes |
Bioorg Med Chem Lett 15: 4752-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50177200
(6-[6-(3-carbamimidoyl-phenoxy)-4-diisopropylamino-...)Show SMILES COc1cccc(CNC(=O)c2ccc(Oc3nc(Oc4cccc(c4)C(N)=N)c(F)c(N(C(C)C)C(C)C)c3F)c(c2)C(O)=O)c1 Show InChI InChI=1S/C34H35F2N5O6/c1-18(2)41(19(3)4)29-27(35)32(46-24-11-7-9-21(15-24)30(37)38)40-33(28(29)36)47-26-13-12-22(16-25(26)34(43)44)31(42)39-17-20-8-6-10-23(14-20)45-5/h6-16,18-19H,17H2,1-5H3,(H3,37,38)(H,39,42)(H,43,44) | PDB
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant FVIIa/TF complex |
Bioorg Med Chem Lett 16: 1060-4 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.076
BindingDB Entry DOI: 10.7270/Q2Q81DWW |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50172232
(2-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)Show SMILES CNc1ccc(Oc2nc(Oc3cccc(c3)C(N)=N)c(F)c(NC(C)CCc3ccccc3)c2F)c(c1)C(O)=O Show InChI InChI=1S/C30H29F2N5O4/c1-17(11-12-18-7-4-3-5-8-18)36-26-24(31)28(40-21-10-6-9-19(15-21)27(33)34)37-29(25(26)32)41-23-14-13-20(35-2)16-22(23)30(38)39/h3-10,13-17,35H,11-12H2,1-2H3,(H3,33,34)(H,36,37)(H,38,39) | PDB
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human coagulation factor VIIa/tissue factor cleavage of fluorogenic substrate SN17c at 37 degree C for 15 minutes |
Bioorg Med Chem Lett 15: 4752-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50172224
(2-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)Show SMILES CCCOc1ccc(Oc2nc(Oc3cccc(c3)C(N)=N)c(F)c(NC(C)CCc3ccccc3)c2F)c(c1)C(O)=O Show InChI InChI=1S/C32H32F2N4O5/c1-3-16-41-22-14-15-25(24(18-22)32(39)40)43-31-27(34)28(37-19(2)12-13-20-8-5-4-6-9-20)26(33)30(38-31)42-23-11-7-10-21(17-23)29(35)36/h4-11,14-15,17-19H,3,12-13,16H2,1-2H3,(H3,35,36)(H,37,38)(H,39,40) | PDB
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PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human coagulation factor VIIa/tissue factor cleavage of fluorogenic substrate SN17c at 37 degree C for 15 minutes |
Bioorg Med Chem Lett 15: 4752-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044 |
More data for this
Ligand-Target Pair | |
Protein-S-isoprenylcysteine O-methyltransferase
(Homo sapiens (Human)) | BDBM50348066
(CHEMBL1800514)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 | KEGG
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| CHEMBL
MCE
PC cid
PC sid
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PubMed
| n/a | n/a | 19 | 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 | |
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