BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 237 hits of ic50 data for polymerid = 50000643   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50143640
PNG
(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/an/a 2.70n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against HCMV protease.


J Med Chem 47: 1893-9 (2004)

More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50143634
PNG
(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/an/a 2.80n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against HCMV protease.


J Med Chem 47: 1893-9 (2004)

More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50143650
PNG
(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/an/a 3.10n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against HCMV protease.


J Med Chem 47: 1893-9 (2004)

More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50143617
PNG
(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/an/a 3.20n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against HCMV protease.


J Med Chem 47: 1893-9 (2004)

More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50143630
PNG
(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/an/a 3.20n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against HCMV protease.


J Med Chem 47: 1893-9 (2004)

More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50143627
PNG
(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/an/a 3.40n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against HCMV protease.


J Med Chem 47: 1893-9 (2004)

More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50143623
PNG
(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/an/a 3.70n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against HCMV protease.


J Med Chem 47: 1893-9 (2004)

More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50143637
PNG
(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/an/a 4.30n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against HCMV protease.


J Med Chem 47: 1893-9 (2004)

More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50143633
PNG
(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/an/a 4.70n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against HCMV protease.


J Med Chem 47: 1893-9 (2004)

More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50143616
PNG
(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/an/a 4.80n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against HCMV protease.


J Med Chem 47: 1893-9 (2004)

More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50143621
PNG
(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/an/a 5.10n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against HCMV protease.


J Med Chem 47: 1893-9 (2004)

More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50143638
PNG
(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/an/a 6.10n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against HCMV protease.


J Med Chem 47: 1893-9 (2004)

More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50143628
PNG
(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/an/a 6.30n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against HCMV protease.


J Med Chem 47: 1893-9 (2004)

More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50143641
PNG
(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/an/a 6.5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against HCMV protease.


J Med Chem 47: 1893-9 (2004)

More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50143618
PNG
(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/an/a 6.60n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against HCMV protease.


J Med Chem 47: 1893-9 (2004)

More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50143635
PNG
(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/an/a 6.70n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against HCMV protease.


J Med Chem 47: 1893-9 (2004)

More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50143632
PNG
(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/an/a 6.90n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against HCMV protease.


J Med Chem 47: 1893-9 (2004)

More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50143646
PNG
(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/an/a 6.90n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against HCMV protease.


J Med Chem 47: 1893-9 (2004)

More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50143629
PNG
(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/an/a 7.40n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against HCMV protease.


J Med Chem 47: 1893-9 (2004)

More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50143625
PNG
(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/an/a 7.5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against HCMV protease.


J Med Chem 47: 1893-9 (2004)

More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50143636
PNG
(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/an/a 8.30n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against HCMV protease.


J Med Chem 47: 1893-9 (2004)

More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50143615
PNG
(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/an/a 9.5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against HCMV protease.


J Med Chem 47: 1893-9 (2004)

More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50143643
PNG
(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/an/a 10.5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against HCMV protease.


J Med Chem 47: 1893-9 (2004)

More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50082152
PNG
(2-[4-(4-Hydroxyamino-benzoyl)-benzyl]-5-methyl-thi...)
Show SMILES Cc1csc2nc(Cc3ccc(cc3)C(=O)c3ccc(NO)cc3)oc(=O)c12
Show InChI InChI=1S/C21H16N2O4S/c1-12-11-28-20-18(12)21(25)27-17(22-20)10-13-2-4-14(5-3-13)19(24)15-6-8-16(23-26)9-7-15/h2-9,11,23,26H,10H2,1H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 14n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Cytomegalovirus (hCMV) protease


Citation and Details
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50075178
PNG
((E)-4-(2-Nitro-phenyl)-4-oxo-but-2-enoic acid [(S)...)
Show SMILES C[C@H](NC(=O)\C=C\C(=O)c1ccccc1[N+]([O-])=O)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C19H15N3O6S/c1-10-9-29-18-16(10)19(25)28-17(21-18)11(2)20-15(24)8-7-14(23)12-5-3-4-6-13(12)22(26)27/h3-9,11H,1-2H3,(H,20,24)/b8-7+/t11-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 14n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against cytomegalovirus protease (CMV)


Citation and Details
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50143619
PNG
(C,C,C-Trifluoro-N-[5-(2-naphthalen-2-yl-vinyl)-nap...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1ccc2c(\C=C\c3ccc4ccccc4c3)cccc2c1
Show InChI InChI=1S/C23H16F3NO2S/c24-23(25,26)30(28,29)27-21-12-13-22-18(6-3-7-20(22)15-21)11-9-16-8-10-17-4-1-2-5-19(17)14-16/h1-15,27H/b11-9+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against HCMV protease.


J Med Chem 47: 1893-9 (2004)

More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50143626
PNG
(CHEMBL57617 | N-{5-[2-(7-Chloro-quinolin-2-yl)-vin...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1ccc2c(\C=C\c3ccc4ccc(Cl)cc4n3)cccc2c1
Show InChI InChI=1S/C22H14ClF3N2O2S/c23-17-7-4-15-6-9-18(27-21(15)13-17)8-5-14-2-1-3-16-12-19(10-11-20(14)16)28-31(29,30)22(24,25)26/h1-13,28H/b8-5+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 15.1n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against HCMV protease.


J Med Chem 47: 1893-9 (2004)

More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50143620
PNG
(CHEMBL52599 | N-[5-(3-Trifluoromethyl-phenoxymethy...)
Show SMILES OC(=O)c1ccc(cc1)C(=O)Nc1ccc2c(COc3cccc(c3)C(F)(F)F)cccc2c1
Show InChI InChI=1S/C26H18F3NO4/c27-26(28,29)20-5-2-6-22(14-20)34-15-19-4-1-3-18-13-21(11-12-23(18)19)30-24(31)16-7-9-17(10-8-16)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/an/a 15.2n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against HCMV protease.


J Med Chem 47: 1893-9 (2004)

More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50143631
PNG
(CHEMBL57169 | N-[5-(3-Chloro-phenoxymethyl)-naphth...)
Show SMILES OC(=O)c1ccc(cc1)C(=O)Nc1ccc2c(COc3cccc(Cl)c3)cccc2c1
Show InChI InChI=1S/C25H18ClNO4/c26-20-5-2-6-22(14-20)31-15-19-4-1-3-18-13-21(11-12-23(18)19)27-24(28)16-7-9-17(10-8-16)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/an/a 15.3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against HCMV protease.


J Med Chem 47: 1893-9 (2004)

More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50143645
PNG
(CHEMBL293304 | N-{5-[(E)-2-(7-Chloro-quinolin-2-yl...)
Show SMILES OC(=O)c1ccc(cc1)C(=O)Nc1ccc2c(\C=C\c3ccc4ccc(Cl)cc4n3)cccc2c1
Show InChI InChI=1S/C29H19ClN2O3/c30-23-11-8-19-10-13-24(31-27(19)17-23)12-9-18-2-1-3-22-16-25(14-15-26(18)22)32-28(33)20-4-6-21(7-5-20)29(34)35/h1-17H,(H,32,33)(H,34,35)/b12-9+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 17.4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against HCMV protease.


J Med Chem 47: 1893-9 (2004)

More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50082154
PNG
(2-[4-(3-Hydroxyamino-benzoyl)-benzyl]-5-methyl-thi...)
Show SMILES Cc1csc2nc(Cc3ccc(cc3)C(=O)c3cccc(NO)c3)oc(=O)c12
Show InChI InChI=1S/C21H16N2O4S/c1-12-11-28-20-18(12)21(25)27-17(22-20)9-13-5-7-14(8-6-13)19(24)15-3-2-4-16(10-15)23-26/h2-8,10-11,23,26H,9H2,1H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 19n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Cytomegalovirus (hCMV) protease


Citation and Details
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50143647
PNG
(CHEMBL56741 | N-[5-(4-Bromo-phenoxymethyl)-naphtha...)
Show SMILES OC(=O)c1ccc(cc1)C(=O)Nc1ccc2c(COc3ccc(Br)cc3)cccc2c1
Show InChI InChI=1S/C25H18BrNO4/c26-20-8-11-22(12-9-20)31-15-19-3-1-2-18-14-21(10-13-23(18)19)27-24(28)16-4-6-17(7-5-16)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/an/a 21.3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against HCMV protease.


J Med Chem 47: 1893-9 (2004)

More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50075173
PNG
((E)-4-(3-Methoxy-phenyl)-4-oxo-but-2-enoic acid [(...)
Show SMILES COc1cccc(c1)C(=O)\C=C\C(=O)N[C@@H](C)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C20H18N2O5S/c1-11-10-28-19-17(11)20(25)27-18(22-19)12(2)21-16(24)8-7-15(23)13-5-4-6-14(9-13)26-3/h4-10,12H,1-3H3,(H,21,24)/b8-7+/t12-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 29n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against cytomegalovirus protease (CMV)


Citation and Details
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50075171
PNG
((E)-4-Oxo-4-thiophen-2-yl-but-2-enoic acid [(S)-1-...)
Show SMILES C[C@H](NC(=O)\C=C\C(=O)c1cccs1)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C17H14N2O4S2/c1-9-8-25-16-14(9)17(22)23-15(19-16)10(2)18-13(21)6-5-11(20)12-4-3-7-24-12/h3-8,10H,1-2H3,(H,18,21)/b6-5+/t10-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 29n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against cytomegalovirus protease (CMV)


Citation and Details
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50075176
PNG
((E)-4-Oxo-4-phenyl-but-2-enoic acid [(S)-1-(5-meth...)
Show SMILES C[C@H](NC(=O)\C=C\C(=O)c1ccccc1)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C19H16N2O4S/c1-11-10-26-18-16(11)19(24)25-17(21-18)12(2)20-15(23)9-8-14(22)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,20,23)/b9-8+/t12-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 30n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against cytomegalovirus protease (CMV)


Citation and Details
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50075175
PNG
((E)-4-(3-Nitro-phenyl)-4-oxo-but-2-enoic acid [(S)...)
Show SMILES C[C@H](NC(=O)\C=C\C(=O)c1cccc(c1)[N+]([O-])=O)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C19H15N3O6S/c1-10-9-29-18-16(10)19(25)28-17(21-18)11(2)20-15(24)7-6-14(23)12-4-3-5-13(8-12)22(26)27/h3-9,11H,1-2H3,(H,20,24)/b7-6+/t11-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 31n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against cytomegalovirus protease (CMV)


Citation and Details
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50075177
PNG
((E)-4-(3-Cyano-phenyl)-4-oxo-but-2-enoic acid [(S)...)
Show SMILES C[C@H](NC(=O)\C=C\C(=O)c1cccc(c1)C#N)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C20H15N3O4S/c1-11-10-28-19-17(11)20(26)27-18(23-19)12(2)22-16(25)7-6-15(24)14-5-3-4-13(8-14)9-21/h3-8,10,12H,1-2H3,(H,22,25)/b7-6+/t12-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 41n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against cytomegalovirus protease (CMV)


Citation and Details
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50143642
PNG
(CHEMBL56701 | N-{5-[(E)-2-(6-Chloro-quinolin-2-yl)...)
Show SMILES CC(=O)Nc1ccc2c(\C=C\c3ccc4cc(Cl)ccc4n3)cccc2c1
Show InChI InChI=1S/C23H17ClN2O/c1-15(27)25-21-10-11-22-16(3-2-4-17(22)14-21)5-8-20-9-6-18-13-19(24)7-12-23(18)26-20/h2-14H,1H3,(H,25,27)/b8-5+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 43n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against HCMV protease.


J Med Chem 47: 1893-9 (2004)

More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50082153
PNG
(3-Hydroxyamino-N-[3-(5-methyl-4-oxo-4H-thieno[2,3-...)
Show SMILES Cc1csc2nc(Cc3cccc(NC(=O)c4cccc(NO)c4)c3)oc(=O)c12
Show InChI InChI=1S/C21H17N3O4S/c1-12-11-29-20-18(12)21(26)28-17(23-20)9-13-4-2-6-15(8-13)22-19(25)14-5-3-7-16(10-14)24-27/h2-8,10-11,24,27H,9H2,1H3,(H,22,25)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 45n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Cytomegalovirus (hCMV) protease


Citation and Details
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50143649
PNG
(CHEMBL59252 | {5-[(E)-2-(6-Chloro-quinolin-2-yl)-v...)
Show SMILES Clc1ccc2nc(C=Cc3cccc4cc(NC(=O)Oc5ccccc5)ccc34)ccc2c1
Show InChI InChI=1S/C28H19ClN2O2/c29-22-11-16-27-21(17-22)10-13-23(30-27)12-9-19-5-4-6-20-18-24(14-15-26(19)20)31-28(32)33-25-7-2-1-3-8-25/h1-18H,(H,31,32)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>50n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against HCMV protease.


J Med Chem 47: 1893-9 (2004)

More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50143651
PNG
(5-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-naphthale...)
Show SMILES Nc1ccc2c(\C=C\c3ccc4ccc(Cl)cc4n3)cccc2c1
Show InChI InChI=1S/C21H15ClN2/c22-17-7-4-15-6-10-19(24-21(15)13-17)9-5-14-2-1-3-16-12-18(23)8-11-20(14)16/h1-13H,23H2/b9-5+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>50n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against HCMV protease.


J Med Chem 47: 1893-9 (2004)

More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50143644
PNG
(CHEMBL56901 | N-{5-[(E)-2-(6-Chloro-quinolin-2-yl)...)
Show SMILES CS(=O)(=O)Nc1ccc2c(\C=C\c3ccc4cc(Cl)ccc4n3)cccc2c1
Show InChI InChI=1S/C22H17ClN2O2S/c1-28(26,27)25-20-10-11-21-15(3-2-4-16(21)14-20)5-8-19-9-6-17-13-18(23)7-12-22(17)24-19/h2-14,25H,1H3/b8-5+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>50n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against HCMV protease.


J Med Chem 47: 1893-9 (2004)

More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50143639
PNG
(CHEMBL55962 | N-{5-[(E)-2-(7-Chloro-quinolin-2-yl)...)
Show SMILES Clc1ccc2ccc(\C=C\c3cccc4cc(NC(=O)c5ccccc5)ccc34)nc2c1
Show InChI InChI=1S/C28H19ClN2O/c29-23-12-9-20-11-14-24(30-27(20)18-23)13-10-19-7-4-8-22-17-25(15-16-26(19)22)31-28(32)21-5-2-1-3-6-21/h1-18H,(H,31,32)/b13-10+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>50n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against HCMV protease.


J Med Chem 47: 1893-9 (2004)

More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50143648
PNG
(5-((E)-2-Quinolin-2-yl-vinyl)-naphthalene-2-carbox...)
Show SMILES OC(=O)c1ccc2c(\C=C\c3ccc4ccccc4n3)cccc2c1
Show InChI InChI=1S/C22H15NO2/c24-22(25)18-10-13-20-15(5-3-6-17(20)14-18)8-11-19-12-9-16-4-1-2-7-21(16)23-19/h1-14H,(H,24,25)/b11-8+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>50n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against HCMV protease.


J Med Chem 47: 1893-9 (2004)

More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50143624
PNG
(CHEMBL56020 | N-{5-[(E)-2-(6-Chloro-quinolin-2-yl)...)
Show SMILES CN(c1ccc2c(\C=C\c3ccc4cc(Cl)ccc4n3)cccc2c1)S(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C23H16ClF3N2O2S/c1-29(32(30,31)23(25,26)27)20-10-11-21-15(3-2-4-16(21)14-20)5-8-19-9-6-17-13-18(24)7-12-22(17)28-19/h2-14H,1H3/b8-5+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>50n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against HCMV protease.


J Med Chem 47: 1893-9 (2004)

More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50082157
PNG
(5-Methyl-2-[4-(3-nitroso-benzoyl)-benzyl]-thieno[2...)
Show SMILES Cc1csc2nc(Cc3ccc(cc3)C(=O)c3cccc(c3)N=O)oc(=O)c12
Show InChI InChI=1S/C21H14N2O4S/c1-12-11-28-20-18(12)21(25)27-17(22-20)9-13-5-7-14(8-6-13)19(24)15-3-2-4-16(10-15)23-26/h2-8,10-11H,9H2,1H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 55n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Cytomegalovirus (hCMV) protease


Citation and Details
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50073422
PNG
(2-(4-Nitro-phenyl)-1,1-dioxo-1H-1lambda*6*-thiochr...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C1=CC(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C15H9NO5S/c17-13-9-15(10-5-7-11(8-6-10)16(18)19)22(20,21)14-4-2-1-3-12(13)14/h1-9H
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 60n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human cytomegalovirus (HCMV) protease was evaluated


Citation and Details
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50073419
PNG
(2-Biphenyl-4-yl-1,1-dioxo-1H-1lambda*6*-thiochrome...)
Show SMILES O=C1C=C(c2ccc(cc2)-c2ccccc2)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C21H14O3S/c22-19-14-21(25(23,24)20-9-5-4-8-18(19)20)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-14H
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 60n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human cytomegalovirus (HCMV) protease was evaluated


Citation and Details
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50075180
PNG
((E)-4-(4-Chloro-phenyl)-4-oxo-but-2-enoic acid [(S...)
Show SMILES C[C@H](NC(=O)\C=C\C(=O)c1ccc(Cl)cc1)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C19H15ClN2O4S/c1-10-9-27-18-16(10)19(25)26-17(22-18)11(2)21-15(24)8-7-14(23)12-3-5-13(20)6-4-12/h3-9,11H,1-2H3,(H,21,24)/b8-7+/t11-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 60n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against cytomegalovirus protease (CMV)


Citation and Details
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50082155
PNG
(4-Hydroxyamino-N-[3-(5-methyl-4-oxo-4H-thieno[2,3-...)
Show SMILES Cc1csc2nc(Cc3cccc(NC(=O)c4ccc(NO)cc4)c3)oc(=O)c12
Show InChI InChI=1S/C21H17N3O4S/c1-12-11-29-20-18(12)21(26)28-17(23-20)10-13-3-2-4-16(9-13)22-19(25)14-5-7-15(24-27)8-6-14/h2-9,11,24,27H,10H2,1H3,(H,22,25)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 61n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Cytomegalovirus (hCMV) protease


Citation and Details
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 237 total )  |  Next  |  Last  >>
Jump to: