Found 217 hits with Last Name = 'moy' and Initial = 'f' 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 |
|---|
Collagenase 3
(Homo sapiens (Human)) | BDBM50096472
(2-(N-benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(OCC(=O)NO)cccc1C(=O)NO Show InChI InChI=1S/C23H23N3O8S/c1-33-17-10-12-18(13-11-17)35(31,32)26(14-16-6-3-2-4-7-16)22-19(23(28)25-30)8-5-9-20(22)34-15-21(27)24-29/h2-13,29-30H,14-15H2,1H3,(H,24,27)(H,25,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-13 |
Bioorg Med Chem Lett 11: 235-8 (2001)
BindingDB Entry DOI: 10.7270/Q2TH8N78 |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM35221
(pyrimidoindolone, 25b)Show SMILES O=C1C2=NCC3(CCC3)CN2c2ccc(cc12)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r,t:2| Show InChI InChI=1S/C25H27N3O4S/c29-23-21-14-20(9-10-22(21)27-17-25(11-5-12-25)16-26-24(23)27)33(30,31)28-13-4-6-18(28)15-32-19-7-2-1-3-8-19/h1-3,7-10,14,18H,4-6,11-13,15-17H2/t18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.29 | n/a | n/a | n/a | n/a | n/a | 25 |
Wyeth Research
| Assay Description
Caspase-3 was assayed at 23 deg C (room temp) in 96-well plates using the internally quenched tetrapeptide substrate. Enzymatic cleavage between the ... |
Bioorg Med Chem 17: 7755-68 (2009)
Article DOI: 10.1016/j.bmc.2009.09.036
BindingDB Entry DOI: 10.7270/Q2BG2M9S |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50096472
(2-(N-benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(OCC(=O)NO)cccc1C(=O)NO Show InChI InChI=1S/C23H23N3O8S/c1-33-17-10-12-18(13-11-17)35(31,32)26(14-16-6-3-2-4-7-16)22-19(23(28)25-30)8-5-9-20(22)34-15-21(27)24-29/h2-13,29-30H,14-15H2,1H3,(H,24,27)(H,25,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-9 |
Bioorg Med Chem Lett 11: 235-8 (2001)
BindingDB Entry DOI: 10.7270/Q2TH8N78 |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM35223
(pyrimidoindolone, 25d)Show SMILES O=C1C2=NCC3(CCCC3)CN2c2ccc(cc12)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r,t:2| Show InChI InChI=1S/C26H29N3O4S/c30-24-22-15-21(10-11-23(22)28-18-26(12-4-5-13-26)17-27-25(24)28)34(31,32)29-14-6-7-19(29)16-33-20-8-2-1-3-9-20/h1-3,8-11,15,19H,4-7,12-14,16-18H2/t19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.32 | n/a | n/a | n/a | n/a | n/a | 25 |
Wyeth Research
| Assay Description
Caspase-3 was assayed at 23 deg C (room temp) in 96-well plates using the internally quenched tetrapeptide substrate. Enzymatic cleavage between the ... |
Bioorg Med Chem 17: 7755-68 (2009)
Article DOI: 10.1016/j.bmc.2009.09.036
BindingDB Entry DOI: 10.7270/Q2BG2M9S |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM35202
(pyrimidoindolone, 11k)Show SMILES CC1(C)CN=C2N(C1)c1ccc(cc1C2=O)S(=O)(=O)N1CCC[C@H]1COc1cccnc1 |r,c:4| Show InChI InChI=1S/C23H26N4O4S/c1-23(2)14-25-22-21(28)19-11-18(7-8-20(19)26(22)15-23)32(29,30)27-10-4-5-16(27)13-31-17-6-3-9-24-12-17/h3,6-9,11-12,16H,4-5,10,13-15H2,1-2H3/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | 7.2 | 23 |
Wyeth Research
| Assay Description
Caspase-3 was assayed at 23 deg C (room temp) in 96-well plates using the internally quenched tetrapeptide substrate. Enzymatic cleavage between the ... |
Bioorg Med Chem 17: 7755-68 (2009)
Article DOI: 10.1016/j.bmc.2009.09.036
BindingDB Entry DOI: 10.7270/Q2BG2M9S |
More data for this
Ligand-Target Pair | |
Capsid scaffolding protein
(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...) | BDBM50143640
(4-({5-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-napht...)Show SMILES OC(=O)c1ccc(CNc2ccc3c(\C=C\c4ccc5ccc(Cl)cc5n4)cccc3c2)cc1 Show InChI InChI=1S/C29H21ClN2O2/c30-24-11-8-21-10-13-25(32-28(21)17-24)12-9-20-2-1-3-23-16-26(14-15-27(20)23)31-18-19-4-6-22(7-5-19)29(33)34/h1-17,31H,18H2,(H,33,34)/b12-9+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibitory concentration against HCMV protease. |
J Med Chem 47: 1893-9 (2004)
Article DOI: 10.1021/jm030540h
BindingDB Entry DOI: 10.7270/Q2765DRK |
More data for this
Ligand-Target Pair | |
Capsid scaffolding protein
(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...) | BDBM50143634
(4-{[5-(4-Bromo-phenoxymethyl)-naphthalen-2-ylamino...)Show SMILES OC(=O)c1ccc(CNc2ccc3c(COc4ccc(Br)cc4)cccc3c2)cc1 Show InChI InChI=1S/C25H20BrNO3/c26-21-8-11-23(12-9-21)30-16-20-3-1-2-19-14-22(10-13-24(19)20)27-15-17-4-6-18(7-5-17)25(28)29/h1-14,27H,15-16H2,(H,28,29) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibitory concentration against HCMV protease. |
J Med Chem 47: 1893-9 (2004)
Article DOI: 10.1021/jm030540h
BindingDB Entry DOI: 10.7270/Q2765DRK |
More data for this
Ligand-Target Pair | |
Capsid scaffolding protein
(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...) | BDBM50143650
(4-{[5-(3-Chloro-phenoxymethyl)-naphthalen-2-ylamin...)Show SMILES OC(=O)c1ccc(CNc2ccc3c(COc4cccc(Cl)c4)cccc3c2)cc1 Show InChI InChI=1S/C25H20ClNO3/c26-21-5-2-6-23(14-21)30-16-20-4-1-3-19-13-22(11-12-24(19)20)27-15-17-7-9-18(10-8-17)25(28)29/h1-14,27H,15-16H2,(H,28,29) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibitory concentration against HCMV protease. |
J Med Chem 47: 1893-9 (2004)
Article DOI: 10.1021/jm030540h
BindingDB Entry DOI: 10.7270/Q2765DRK |
More data for this
Ligand-Target Pair | |
Capsid scaffolding protein
(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...) | BDBM50143617
(CHEMBL442168 | N-{5-[2-(8-Chloro-quinolin-2-yl)-vi...)Show SMILES FC(F)(F)S(=O)(=O)Nc1ccc2c(\C=C\c3ccc4cccc(Cl)c4n3)cccc2c1 Show InChI InChI=1S/C22H14ClF3N2O2S/c23-20-6-2-4-15-8-10-17(27-21(15)20)9-7-14-3-1-5-16-13-18(11-12-19(14)16)28-31(29,30)22(24,25)26/h1-13,28H/b9-7+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibitory concentration against HCMV protease. |
J Med Chem 47: 1893-9 (2004)
Article DOI: 10.1021/jm030540h
BindingDB Entry DOI: 10.7270/Q2765DRK |
More data for this
Ligand-Target Pair | |
Capsid scaffolding protein
(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...) | BDBM50143630
(CHEMBL299043 | N-{5-[(E)-2-(6-Chloro-quinolin-2-yl...)Show SMILES FC(F)(F)S(=O)(=O)Nc1ccc2c(\C=C\c3ccc4cc(Cl)ccc4n3)cccc2c1 Show InChI InChI=1S/C22H14ClF3N2O2S/c23-17-6-11-21-16(12-17)5-8-18(27-21)7-4-14-2-1-3-15-13-19(9-10-20(14)15)28-31(29,30)22(24,25)26/h1-13,28H/b7-4+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibitory concentration against HCMV protease. |
J Med Chem 47: 1893-9 (2004)
Article DOI: 10.1021/jm030540h
BindingDB Entry DOI: 10.7270/Q2765DRK |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM35220
(pyrimidoindolone, 25a)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N3CC4(CCC4)CN=C3C(=O)c2c1 |r,c:24| Show InChI InChI=1S/C20H25N3O4S/c1-27-11-14-4-2-9-23(14)28(25,26)15-5-6-17-16(10-15)18(24)19-21-12-20(7-3-8-20)13-22(17)19/h5-6,10,14H,2-4,7-9,11-13H2,1H3/t14-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | 25 |
Wyeth Research
| Assay Description
Caspase-3 was assayed at 23 deg C (room temp) in 96-well plates using the internally quenched tetrapeptide substrate. Enzymatic cleavage between the ... |
Bioorg Med Chem 17: 7755-68 (2009)
Article DOI: 10.1016/j.bmc.2009.09.036
BindingDB Entry DOI: 10.7270/Q2BG2M9S |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50378568
(CHEMBL1163016)Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=O)c1cccc(c1)-c1cc2nccc(Nc3cccc(O)c3)n2n1 |^1:10| Show InChI InChI=1S/C28H31N6O3/c1-27(2)16-21(17-28(3,4)34(27)37)31-26(36)19-8-5-7-18(13-19)23-15-25-29-12-11-24(33(25)32-23)30-20-9-6-10-22(35)14-20/h5-15,21,30,35H,16-17H2,1-4H3,(H,31,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of KDR |
J Med Chem 53: 1238-49 (2010)
Article DOI: 10.1021/jm901525b
BindingDB Entry DOI: 10.7270/Q2QJ7J72 |
More data for this
Ligand-Target Pair | |
Capsid scaffolding protein
(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...) | BDBM50143627
(C,C,C-Trifluoro-N-{5-[2-(6-methoxy-quinolin-2-yl)-...)Show SMILES COc1ccc2nc(\C=C\c3cccc4cc(NS(=O)(=O)C(F)(F)F)ccc34)ccc2c1 Show InChI InChI=1S/C23H17F3N2O3S/c1-31-20-10-12-22-17(14-20)6-8-18(27-22)7-5-15-3-2-4-16-13-19(9-11-21(15)16)28-32(29,30)23(24,25)26/h2-14,28H,1H3/b7-5+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibitory concentration against HCMV protease. |
J Med Chem 47: 1893-9 (2004)
Article DOI: 10.1021/jm030540h
BindingDB Entry DOI: 10.7270/Q2765DRK |
More data for this
Ligand-Target Pair | |
Capsid scaffolding protein
(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...) | BDBM50143623
(CHEMBL299278 | N-{5-[2-(6-Dimethylamino-quinolin-2...)Show SMILES CN(C)c1ccc2nc(\C=C\c3cccc4cc(NS(=O)(=O)C(F)(F)F)ccc34)ccc2c1 Show InChI InChI=1S/C24H20F3N3O2S/c1-30(2)21-11-13-23-18(15-21)7-9-19(28-23)8-6-16-4-3-5-17-14-20(10-12-22(16)17)29-33(31,32)24(25,26)27/h3-15,29H,1-2H3/b8-6+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibitory concentration against HCMV protease. |
J Med Chem 47: 1893-9 (2004)
Article DOI: 10.1021/jm030540h
BindingDB Entry DOI: 10.7270/Q2765DRK |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50096467
(2-(N-benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(OC(C)(C)C(=O)NO)cccc1C(=O)NO Show InChI InChI=1S/C25H27N3O8S/c1-25(2,24(30)27-32)36-21-11-7-10-20(23(29)26-31)22(21)28(16-17-8-5-4-6-9-17)37(33,34)19-14-12-18(35-3)13-15-19/h4-15,31-32H,16H2,1-3H3,(H,26,29)(H,27,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-9 |
Bioorg Med Chem Lett 11: 235-8 (2001)
BindingDB Entry DOI: 10.7270/Q2TH8N78 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50096468
(CHEMBL76974 | N-Hydroxy-2-[(4-methoxy-benzenesulfo...)Show SMILES COC(=O)c1cccc(C(=O)NO)c1N(Cc1cccnc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C22H21N3O7S/c1-31-16-8-10-17(11-9-16)33(29,30)25(14-15-5-4-12-23-13-15)20-18(21(26)24-28)6-3-7-19(20)22(27)32-2/h3-13,28H,14H2,1-2H3,(H,24,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-13 |
Bioorg Med Chem Lett 11: 235-8 (2001)
BindingDB Entry DOI: 10.7270/Q2TH8N78 |
More data for this
Ligand-Target Pair | |
Capsid scaffolding protein
(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...) | BDBM50143637
(CHEMBL56633 | N-{5-[2-(4-Chloro-phenyl)-vinyl]-nap...)Show SMILES FC(F)(F)S(=O)(=O)Nc1ccc2c(\C=C\c3ccc(Cl)cc3)cccc2c1 Show InChI InChI=1S/C19H13ClF3NO2S/c20-16-8-5-13(6-9-16)4-7-14-2-1-3-15-12-17(10-11-18(14)15)24-27(25,26)19(21,22)23/h1-12,24H/b7-4+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibitory concentration against HCMV protease. |
J Med Chem 47: 1893-9 (2004)
Article DOI: 10.1021/jm030540h
BindingDB Entry DOI: 10.7270/Q2765DRK |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM35203
(pyrimidoindolone, 11l)Show SMILES CC1(C)CN=C2N(C1)c1ccc(cc1C2=O)S(=O)(=O)N1CCC[C@H]1COc1cncc(Cl)c1 |r,c:4| Show InChI InChI=1S/C23H25ClN4O4S/c1-23(2)13-26-22-21(29)19-9-18(5-6-20(19)27(22)14-23)33(30,31)28-7-3-4-16(28)12-32-17-8-15(24)10-25-11-17/h5-6,8-11,16H,3-4,7,12-14H2,1-2H3/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.43 | n/a | n/a | n/a | n/a | 7.2 | 23 |
Wyeth Research
| Assay Description
Caspase-3 was assayed at 23 deg C (room temp) in 96-well plates using the internally quenched tetrapeptide substrate. Enzymatic cleavage between the ... |
Bioorg Med Chem 17: 7755-68 (2009)
Article DOI: 10.1016/j.bmc.2009.09.036
BindingDB Entry DOI: 10.7270/Q2BG2M9S |
More data for this
Ligand-Target Pair | |
Capsid scaffolding protein
(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...) | BDBM50143633
(4-chloro-N-[({5-[(1E)-7-chloroquinolin-2-yl)vinyl]...)Show SMILES Clc1ccc(cc1)S(=O)(=O)NC(=O)Nc1ccc2c(\C=C\c3ccc4ccc(Cl)cc4n3)cccc2c1 Show InChI InChI=1S/C28H19Cl2N3O3S/c29-21-8-13-25(14-9-21)37(35,36)33-28(34)32-24-12-15-26-18(2-1-3-20(26)16-24)5-10-23-11-6-19-4-7-22(30)17-27(19)31-23/h1-17H,(H2,32,33,34)/b10-5+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibitory concentration against HCMV protease. |
J Med Chem 47: 1893-9 (2004)
Article DOI: 10.1021/jm030540h
BindingDB Entry DOI: 10.7270/Q2765DRK |
More data for this
Ligand-Target Pair | |
Capsid scaffolding protein
(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...) | BDBM50143616
(4-[(5-Phenoxymethyl-naphthalen-2-ylamino)-methyl]-...)Show SMILES OC(=O)c1ccc(CNc2ccc3c(COc4ccccc4)cccc3c2)cc1 Show InChI InChI=1S/C25H21NO3/c27-25(28)19-11-9-18(10-12-19)16-26-22-13-14-24-20(15-22)5-4-6-21(24)17-29-23-7-2-1-3-8-23/h1-15,26H,16-17H2,(H,27,28) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibitory concentration against HCMV protease. |
J Med Chem 47: 1893-9 (2004)
Article DOI: 10.1021/jm030540h
BindingDB Entry DOI: 10.7270/Q2765DRK |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM35206
(pyrimidoindolone, 14a)Show SMILES CC1(C)CN=C2N(C1)c1ccc(cc1C2=O)S(=O)(=O)N1CCC[C@H]1CN1CCOCC1 |r,c:4| Show InChI InChI=1S/C22H30N4O4S/c1-22(2)14-23-21-20(27)18-12-17(5-6-19(18)25(21)15-22)31(28,29)26-7-3-4-16(26)13-24-8-10-30-11-9-24/h5-6,12,16H,3-4,7-11,13-15H2,1-2H3/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.99 | n/a | n/a | n/a | n/a | 7.2 | 23 |
Wyeth Research
| Assay Description
Caspase-3 was assayed at 23 deg C (room temp) in 96-well plates using the internally quenched tetrapeptide substrate. Enzymatic cleavage between the ... |
Bioorg Med Chem 17: 7755-68 (2009)
Article DOI: 10.1016/j.bmc.2009.09.036
BindingDB Entry DOI: 10.7270/Q2BG2M9S |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50378568
(CHEMBL1163016)Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=O)c1cccc(c1)-c1cc2nccc(Nc3cccc(O)c3)n2n1 |^1:10| Show InChI InChI=1S/C28H31N6O3/c1-27(2)16-21(17-28(3,4)34(27)37)31-26(36)19-8-5-7-18(13-19)23-15-25-29-12-11-24(33(25)32-23)30-20-9-6-10-22(35)14-20/h5-15,21,30,35H,16-17H2,1-4H3,(H,31,36) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of src kinase |
J Med Chem 53: 1238-49 (2010)
Article DOI: 10.1021/jm901525b
BindingDB Entry DOI: 10.7270/Q2QJ7J72 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50378568
(CHEMBL1163016)Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=O)c1cccc(c1)-c1cc2nccc(Nc3cccc(O)c3)n2n1 |^1:10| Show InChI InChI=1S/C28H31N6O3/c1-27(2)16-21(17-28(3,4)34(27)37)31-26(36)19-8-5-7-18(13-19)23-15-25-29-12-11-24(33(25)32-23)30-20-9-6-10-22(35)14-20/h5-15,21,30,35H,16-17H2,1-4H3,(H,31,36) | 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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Abl 1 |
J Med Chem 53: 1238-49 (2010)
Article DOI: 10.1021/jm901525b
BindingDB Entry DOI: 10.7270/Q2QJ7J72 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50096463
(CHEMBL70176 | N-Hydroxy-2-[(4-methoxy-benzenesulfo...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cccc1C(=O)NO Show InChI InChI=1S/C21H21N3O5S/c1-15-5-3-7-19(21(25)23-26)20(15)24(14-16-6-4-12-22-13-16)30(27,28)18-10-8-17(29-2)9-11-18/h3-13,26H,14H2,1-2H3,(H,23,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-9 |
Bioorg Med Chem Lett 11: 235-8 (2001)
BindingDB Entry DOI: 10.7270/Q2TH8N78 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Fyn
(Homo sapiens (Human)) | BDBM50378568
(CHEMBL1163016)Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=O)c1cccc(c1)-c1cc2nccc(Nc3cccc(O)c3)n2n1 |^1:10| Show InChI InChI=1S/C28H31N6O3/c1-27(2)16-21(17-28(3,4)34(27)37)31-26(36)19-8-5-7-18(13-19)23-15-25-29-12-11-24(33(25)32-23)30-20-9-6-10-22(35)14-20/h5-15,21,30,35H,16-17H2,1-4H3,(H,31,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Fyn |
J Med Chem 53: 1238-49 (2010)
Article DOI: 10.1021/jm901525b
BindingDB Entry DOI: 10.7270/Q2QJ7J72 |
More data for this
Ligand-Target Pair | |
Capsid scaffolding protein
(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...) | BDBM50143621
(CHEMBL55390 | N-[5-(3-Chloro-benzyloxy)-naphthalen...)Show SMILES OC(=O)c1ccc(cc1)C(=O)Nc1ccc2c(OCc3cccc(Cl)c3)cccc2c1 Show InChI InChI=1S/C25H18ClNO4/c26-20-5-1-3-16(13-20)15-31-23-6-2-4-19-14-21(11-12-22(19)23)27-24(28)17-7-9-18(10-8-17)25(29)30/h1-14H,15H2,(H,27,28)(H,29,30) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibitory concentration against HCMV protease. |
J Med Chem 47: 1893-9 (2004)
Article DOI: 10.1021/jm030540h
BindingDB Entry DOI: 10.7270/Q2765DRK |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50096467
(2-(N-benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(OC(C)(C)C(=O)NO)cccc1C(=O)NO Show InChI InChI=1S/C25H27N3O8S/c1-25(2,24(30)27-32)36-21-11-7-10-20(23(29)26-31)22(21)28(16-17-8-5-4-6-9-17)37(33,34)19-14-12-18(35-3)13-15-19/h4-15,31-32H,16H2,1-3H3,(H,26,29)(H,27,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-13 |
Bioorg Med Chem Lett 11: 235-8 (2001)
BindingDB Entry DOI: 10.7270/Q2TH8N78 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50096468
(CHEMBL76974 | N-Hydroxy-2-[(4-methoxy-benzenesulfo...)Show SMILES COC(=O)c1cccc(C(=O)NO)c1N(Cc1cccnc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C22H21N3O7S/c1-31-16-8-10-17(11-9-16)33(29,30)25(14-15-5-4-12-23-13-15)20-18(21(26)24-28)6-3-7-19(20)22(27)32-2/h3-13,28H,14H2,1-2H3,(H,24,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-9 |
Bioorg Med Chem Lett 11: 235-8 (2001)
BindingDB Entry DOI: 10.7270/Q2TH8N78 |
More data for this
Ligand-Target Pair | |
Capsid scaffolding protein
(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...) | BDBM50143638
(CHEMBL57565 | N-[5-(3-Bromo-benzyloxy)-naphthalen-...)Show SMILES OC(=O)c1ccc(cc1)C(=O)Nc1ccc2c(OCc3cccc(Br)c3)cccc2c1 Show InChI InChI=1S/C25H18BrNO4/c26-20-5-1-3-16(13-20)15-31-23-6-2-4-19-14-21(11-12-22(19)23)27-24(28)17-7-9-18(10-8-17)25(29)30/h1-14H,15H2,(H,27,28)(H,29,30) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibitory concentration against HCMV protease. |
J Med Chem 47: 1893-9 (2004)
Article DOI: 10.1021/jm030540h
BindingDB Entry DOI: 10.7270/Q2765DRK |
More data for this
Ligand-Target Pair | |
Capsid scaffolding protein
(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...) | BDBM50143628
(C,C,C-Trifluoro-N-{5-[2-(6-methyl-quinolin-2-yl)-v...)Show SMILES Cc1ccc2nc(\C=C\c3cccc4cc(NS(=O)(=O)C(F)(F)F)ccc34)ccc2c1 Show InChI InChI=1S/C23H17F3N2O2S/c1-15-5-12-22-18(13-15)7-9-19(27-22)8-6-16-3-2-4-17-14-20(10-11-21(16)17)28-31(29,30)23(24,25)26/h2-14,28H,1H3/b8-6+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibitory concentration against HCMV protease. |
J Med Chem 47: 1893-9 (2004)
Article DOI: 10.1021/jm030540h
BindingDB Entry DOI: 10.7270/Q2765DRK |
More data for this
Ligand-Target Pair | |
Capsid scaffolding protein
(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...) | BDBM50143641
(C,C,C-Trifluoro-N-{5-[2-(3-trifluoromethyl-phenyl)...)Show SMILES FC(F)(F)c1cccc(\C=C\c2cccc3cc(NS(=O)(=O)C(F)(F)F)ccc23)c1 Show InChI InChI=1S/C20H13F6NO2S/c21-19(22,23)16-6-1-3-13(11-16)7-8-14-4-2-5-15-12-17(9-10-18(14)15)27-30(28,29)20(24,25)26/h1-12,27H/b8-7+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibitory concentration against HCMV protease. |
J Med Chem 47: 1893-9 (2004)
Article DOI: 10.1021/jm030540h
BindingDB Entry DOI: 10.7270/Q2765DRK |
More data for this
Ligand-Target Pair | |
Capsid scaffolding protein
(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...) | BDBM50143618
(C,C,C-Trifluoro-N-{5-[2-(3-methoxy-phenyl)-vinyl]-...)Show SMILES COc1cccc(\C=C\c2cccc3cc(NS(=O)(=O)C(F)(F)F)ccc23)c1 Show InChI InChI=1S/C20H16F3NO3S/c1-27-18-7-2-4-14(12-18)8-9-15-5-3-6-16-13-17(10-11-19(15)16)24-28(25,26)20(21,22)23/h2-13,24H,1H3/b9-8+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibitory concentration against HCMV protease. |
J Med Chem 47: 1893-9 (2004)
Article DOI: 10.1021/jm030540h
BindingDB Entry DOI: 10.7270/Q2765DRK |
More data for this
Ligand-Target Pair | |
Capsid scaffolding protein
(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...) | BDBM50143635
(CHEMBL440672 | N-[({5-[(1E)-7-chloroquinolin-2-yl)...)Show SMILES Clc1ccc2ccc(\C=C\c3cccc4cc(NC(=O)NS(=O)(=O)c5ccccc5)ccc34)nc2c1 Show InChI InChI=1S/C28H20ClN3O3S/c29-22-12-9-20-11-14-23(30-27(20)18-22)13-10-19-5-4-6-21-17-24(15-16-26(19)21)31-28(33)32-36(34,35)25-7-2-1-3-8-25/h1-18H,(H2,31,32,33)/b13-10+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibitory concentration against HCMV protease. |
J Med Chem 47: 1893-9 (2004)
Article DOI: 10.1021/jm030540h
BindingDB Entry DOI: 10.7270/Q2765DRK |
More data for this
Ligand-Target Pair | |
Capsid scaffolding protein
(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...) | BDBM50143632
(CHEMBL56307 | N-{5-[(E)-2-(3-Trifluoromethyl-pheny...)Show SMILES OC(=O)c1ccc(cc1)C(=O)Nc1ccc2c(\C=C\c3cccc(c3)C(F)(F)F)cccc2c1 Show InChI InChI=1S/C27H18F3NO3/c28-27(29,30)22-6-1-3-17(15-22)7-8-18-4-2-5-21-16-23(13-14-24(18)21)31-25(32)19-9-11-20(12-10-19)26(33)34/h1-16H,(H,31,32)(H,33,34)/b8-7+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibitory concentration against HCMV protease. |
J Med Chem 47: 1893-9 (2004)
Article DOI: 10.1021/jm030540h
BindingDB Entry DOI: 10.7270/Q2765DRK |
More data for this
Ligand-Target Pair | |
Capsid scaffolding protein
(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...) | BDBM50143646
(4-({5-[(E)-2-(3-Trifluoromethyl-phenyl)-vinyl]-nap...)Show SMILES OC(=O)c1ccc(CNc2ccc3c(\C=C\c4cccc(c4)C(F)(F)F)cccc3c2)cc1 Show InChI InChI=1S/C27H20F3NO2/c28-27(29,30)23-6-1-3-18(15-23)7-10-20-4-2-5-22-16-24(13-14-25(20)22)31-17-19-8-11-21(12-9-19)26(32)33/h1-16,31H,17H2,(H,32,33)/b10-7+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibitory concentration against HCMV protease. |
J Med Chem 47: 1893-9 (2004)
Article DOI: 10.1021/jm030540h
BindingDB Entry DOI: 10.7270/Q2765DRK |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM19730
(3,3-dimethyl-8-{[(2S)-2-(phenoxymethyl)pyrrolidine...)Show SMILES CC1(C)CN=C2N(C1)c1ccc(cc1C2=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r,c:4| Show InChI InChI=1S/C24H27N3O4S/c1-24(2)15-25-23-22(28)20-13-19(10-11-21(20)26(23)16-24)32(29,30)27-12-6-7-17(27)14-31-18-8-4-3-5-9-18/h3-5,8-11,13,17H,6-7,12,14-16H2,1-2H3/t17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | 7.2 | 23 |
Wyeth Research
| Assay Description
Caspase-3 was assayed at 23 deg C (room temp) in 96-well plates using the internally quenched tetrapeptide substrate. Enzymatic cleavage between the ... |
Bioorg Med Chem 17: 7755-68 (2009)
Article DOI: 10.1016/j.bmc.2009.09.036
BindingDB Entry DOI: 10.7270/Q2BG2M9S |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM35204
(pyrimidoindolone, 11m)Show SMILES Cc1ncccc1OC[C@@H]1CCCN1S(=O)(=O)c1ccc2N3CC(C)(C)CN=C3C(=O)c2c1 |r,c:29| Show InChI InChI=1S/C24H28N4O4S/c1-16-21(7-4-10-25-16)32-13-17-6-5-11-28(17)33(30,31)18-8-9-20-19(12-18)22(29)23-26-14-24(2,3)15-27(20)23/h4,7-10,12,17H,5-6,11,13-15H2,1-3H3/t17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.18 | n/a | n/a | n/a | n/a | 7.2 | 23 |
Wyeth Research
| Assay Description
Caspase-3 was assayed at 23 deg C (room temp) in 96-well plates using the internally quenched tetrapeptide substrate. Enzymatic cleavage between the ... |
Bioorg Med Chem 17: 7755-68 (2009)
Article DOI: 10.1016/j.bmc.2009.09.036
BindingDB Entry DOI: 10.7270/Q2BG2M9S |
More data for this
Ligand-Target Pair | |
Capsid scaffolding protein
(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...) | BDBM50143629
(CHEMBL57465 | N-[5-(3-Trifluoromethyl-benzyloxy)-n...)Show SMILES OC(=O)c1ccc(cc1)C(=O)Nc1ccc2c(OCc3cccc(c3)C(F)(F)F)cccc2c1 Show InChI InChI=1S/C26H18F3NO4/c27-26(28,29)20-5-1-3-16(13-20)15-34-23-6-2-4-19-14-21(11-12-22(19)23)30-24(31)17-7-9-18(10-8-17)25(32)33/h1-14H,15H2,(H,30,31)(H,32,33) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibitory concentration against HCMV protease. |
J Med Chem 47: 1893-9 (2004)
Article DOI: 10.1021/jm030540h
BindingDB Entry DOI: 10.7270/Q2765DRK |
More data for this
Ligand-Target Pair | |
Capsid scaffolding protein
(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...) | BDBM50143625
(C,C,C-Trifluoro-N-(5-styryl-naphthalen-2-yl)-metha...)Show SMILES FC(F)(F)S(=O)(=O)Nc1ccc2c(\C=C\c3ccccc3)cccc2c1 Show InChI InChI=1S/C19H14F3NO2S/c20-19(21,22)26(24,25)23-17-11-12-18-15(7-4-8-16(18)13-17)10-9-14-5-2-1-3-6-14/h1-13,23H/b10-9+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibitory concentration against HCMV protease. |
J Med Chem 47: 1893-9 (2004)
Article DOI: 10.1021/jm030540h
BindingDB Entry DOI: 10.7270/Q2765DRK |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM35199
(pyrimidoindolone, 11h)Show SMILES CC1(C)CN=C2N(C1)c1ccc(cc1C2=O)S(=O)(=O)N1CCC[C@H]1COc1ccccn1 |r,c:4| Show InChI InChI=1S/C23H26N4O4S/c1-23(2)14-25-22-21(28)18-12-17(8-9-19(18)26(22)15-23)32(29,30)27-11-5-6-16(27)13-31-20-7-3-4-10-24-20/h3-4,7-10,12,16H,5-6,11,13-15H2,1-2H3/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.81 | n/a | n/a | n/a | n/a | 7.2 | 23 |
Wyeth Research
| Assay Description
Caspase-3 was assayed at 23 deg C (room temp) in 96-well plates using the internally quenched tetrapeptide substrate. Enzymatic cleavage between the ... |
Bioorg Med Chem 17: 7755-68 (2009)
Article DOI: 10.1016/j.bmc.2009.09.036
BindingDB Entry DOI: 10.7270/Q2BG2M9S |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50096463
(CHEMBL70176 | N-Hydroxy-2-[(4-methoxy-benzenesulfo...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cccc1C(=O)NO Show InChI InChI=1S/C21H21N3O5S/c1-15-5-3-7-19(21(25)23-26)20(15)24(14-16-6-4-12-22-13-16)30(27,28)18-10-8-17(29-2)9-11-18/h3-13,26H,14H2,1-2H3,(H,23,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-13 |
Bioorg Med Chem Lett 11: 235-8 (2001)
BindingDB Entry DOI: 10.7270/Q2TH8N78 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Collagenase 3
(Homo sapiens (Human)) | BDBM8465
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-13 |
Bioorg Med Chem Lett 11: 235-8 (2001)
BindingDB Entry DOI: 10.7270/Q2TH8N78 |
More data for this
Ligand-Target Pair | |
Capsid scaffolding protein
(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...) | BDBM50143636
(4-methyl-N-[({5-[(1E)-7-chloroquinolin-2-yl)vinyl]...)Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1ccc2c(\C=C\c3ccc4ccc(Cl)cc4n3)cccc2c1 Show InChI InChI=1S/C29H22ClN3O3S/c1-19-5-14-26(15-6-19)37(35,36)33-29(34)32-25-13-16-27-20(3-2-4-22(27)17-25)8-11-24-12-9-21-7-10-23(30)18-28(21)31-24/h2-18H,1H3,(H2,32,33,34)/b11-8+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibitory concentration against HCMV protease. |
J Med Chem 47: 1893-9 (2004)
Article DOI: 10.1021/jm030540h
BindingDB Entry DOI: 10.7270/Q2765DRK |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM8465
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-9 |
Bioorg Med Chem Lett 11: 235-8 (2001)
BindingDB Entry DOI: 10.7270/Q2TH8N78 |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM28104
(3-cyanoquinoline, 29 | 4-({3-chloro-4-[(1-ethyl-4,...)Show SMILES CCN1CCN(CCCOc2cc3ncc(C#N)c(Nc4ccc(Sc5nc(C)c(C)n5CC)c(Cl)c4)c3cc2OC)CC1 Show InChI InChI=1S/C33H40ClN7O2S/c1-6-39-12-14-40(15-13-39)11-8-16-43-30-19-28-26(18-29(30)42-5)32(24(20-35)21-36-28)38-25-9-10-31(27(34)17-25)44-33-37-22(3)23(4)41(33)7-2/h9-10,17-19,21H,6-8,11-16H2,1-5H3,(H,36,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Wyeth Research
| Assay Description
Assays were performed in microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of test com... |
Bioorg Med Chem Lett 19: 62-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.037
BindingDB Entry DOI: 10.7270/Q2M32T38 |
More data for this
Ligand-Target Pair | |
Capsid scaffolding protein
(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...) | BDBM50143615
(C,C,C-Trifluoro-N-[5-(2-quinolin-2-yl-vinyl)-napht...)Show SMILES FC(F)(F)S(=O)(=O)Nc1ccc2c(\C=C\c3ccc4ccccc4n3)cccc2c1 Show InChI InChI=1S/C22H15F3N2O2S/c23-22(24,25)30(28,29)27-19-12-13-20-15(5-3-6-17(20)14-19)8-10-18-11-9-16-4-1-2-7-21(16)26-18/h1-14,27H/b10-8+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibitory concentration against HCMV protease. |
J Med Chem 47: 1893-9 (2004)
Article DOI: 10.1021/jm030540h
BindingDB Entry DOI: 10.7270/Q2765DRK |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM28091
(3-cyanoquinoline, 16 | 4-({3-chloro-4-[(1-ethyl-4,...)Show SMILES CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(NCCCN(C)C)c(OC)cc23)C#N)cc1Cl Show InChI InChI=1S/C29H34ClN7OS/c1-7-37-19(3)18(2)34-29(37)39-27-10-9-21(13-23(27)30)35-28-20(16-31)17-33-24-15-25(26(38-6)14-22(24)28)32-11-8-12-36(4)5/h9-10,13-15,17,32H,7-8,11-12H2,1-6H3,(H,33,35) | 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 | 10 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Wyeth Research
| Assay Description
Assays were performed in microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of test com... |
Bioorg Med Chem Lett 19: 62-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.037
BindingDB Entry DOI: 10.7270/Q2M32T38 |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM35205
(pyrimidoindolone, 11n)Show SMILES COC(=O)c1cncc(OC[C@@H]2CCCN2S(=O)(=O)c2ccc3N4CC(C)(C)CN=C4C(=O)c3c2)c1 |r,c:30| Show InChI InChI=1S/C25H28N4O6S/c1-25(2)14-27-23-22(30)20-10-19(6-7-21(20)28(23)15-25)36(32,33)29-8-4-5-17(29)13-35-18-9-16(11-26-12-18)24(31)34-3/h6-7,9-12,17H,4-5,8,13-15H2,1-3H3/t17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10.1 | n/a | n/a | n/a | n/a | 7.2 | 23 |
Wyeth Research
| Assay Description
Caspase-3 was assayed at 23 deg C (room temp) in 96-well plates using the internally quenched tetrapeptide substrate. Enzymatic cleavage between the ... |
Bioorg Med Chem 17: 7755-68 (2009)
Article DOI: 10.1016/j.bmc.2009.09.036
BindingDB Entry DOI: 10.7270/Q2BG2M9S |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM35200
(pyrimidoindolone, 11i)Show SMILES CC1(C)CN=C2N(C1)c1ccc(cc1C2=O)S(=O)(=O)N1CCC[C@H]1COc1ccc(Cl)cn1 |r,c:4| Show InChI InChI=1S/C23H25ClN4O4S/c1-23(2)13-26-22-21(29)18-10-17(6-7-19(18)27(22)14-23)33(30,31)28-9-3-4-16(28)12-32-20-8-5-15(24)11-25-20/h5-8,10-11,16H,3-4,9,12-14H2,1-2H3/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10.2 | n/a | n/a | n/a | n/a | 7.2 | 23 |
Wyeth Research
| Assay Description
Caspase-3 was assayed at 23 deg C (room temp) in 96-well plates using the internally quenched tetrapeptide substrate. Enzymatic cleavage between the ... |
Bioorg Med Chem 17: 7755-68 (2009)
Article DOI: 10.1016/j.bmc.2009.09.036
BindingDB Entry DOI: 10.7270/Q2BG2M9S |
More data for this
Ligand-Target Pair | |
Capsid scaffolding protein
(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...) | BDBM50143643
(CHEMBL56642 | N-{5-[2-(4-Chloro-quinolin-2-yl)-vin...)Show SMILES FC(F)(F)S(=O)(=O)Nc1ccc2c(\C=C\c3cc(Cl)c4ccccc4n3)cccc2c1 Show InChI InChI=1S/C22H14ClF3N2O2S/c23-20-13-16(27-21-7-2-1-6-19(20)21)9-8-14-4-3-5-15-12-17(10-11-18(14)15)28-31(29,30)22(24,25)26/h1-13,28H/b9-8+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibitory concentration against HCMV protease. |
J Med Chem 47: 1893-9 (2004)
Article DOI: 10.1021/jm030540h
BindingDB Entry DOI: 10.7270/Q2765DRK |
More data for this
Ligand-Target Pair | |
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