Found 68 hits with Last Name = 'nikitenko' and Initial = 'a' 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 |
|---|
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...) | 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 | |
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...) | 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 | |
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 | |
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 | |
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 | |
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...) | 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 | |
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...) | 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 | |
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 | |
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 | |
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 | |
Capsid scaffolding protein
(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...) | BDBM50143619
(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/a | n/a | 15 | 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...) | BDBM50143626
(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/a | n/a | 15.1 | 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...) | BDBM50143620
(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/a | n/a | 15.2 | 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...) | BDBM50143631
(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/a | n/a | 15.3 | 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...) | BDBM50143645
(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/a | n/a | 17.4 | 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...) | BDBM50143647
(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/a | n/a | 21.3 | 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 | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM20732
((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14,...)Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2OC |r,w:16.16,6.6,t:28| Show InChI InChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-11,13-14,17,22-24,26,32-34H,12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8?,15-11?,16-9?,18-13+/t17-,22-,23-,24+,26-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90alpha after 3 hrs by fluorescence polarization assay |
Bioorg Med Chem Lett 21: 4602-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.102
BindingDB Entry DOI: 10.7270/Q2833SD5 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Capsid scaffolding protein
(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...) | BDBM50143642
(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/a | n/a | 43 | 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...) | BDBM50143648
(5-((E)-2-Quinolin-2-yl-vinyl)-naphthalene-2-carbox...)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/a | n/a | >50 | 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...) | BDBM50143649
(CHEMBL59252 | {5-[(E)-2-(6-Chloro-quinolin-2-yl)-v...)Show SMILES Clc1ccc2nc(C=Cc3cccc4cc(NC(=O)Oc5ccccc5)ccc34)ccc2c1 |w:7.6| 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/a | n/a | >50 | 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...) | BDBM50143624
(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/a | n/a | >50 | 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...) | BDBM50143644
(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/a | n/a | >50 | 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...) | BDBM50143651
(5-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-naphthale...)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/a | n/a | >50 | 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...) | BDBM50143639
(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/a | n/a | >50 | 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 | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50349038
(CHEMBL1807797)Show SMILES C[C@@H]1CN(CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@H]1C)c2)C(C)=O |r| Show InChI InChI=1S/C27H36N4O3/c1-15-14-30(18(4)32)10-9-22-16(2)25-23(12-27(5,6)13-24(25)33)31(22)19-7-8-20(26(28)34)21(11-19)29-17(15)3/h7-8,11,15,17,29H,9-10,12-14H2,1-6H3,(H2,28,34)/t15-,17+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90alpha after 3 hrs by fluorescence polarization assay |
Bioorg Med Chem Lett 21: 4602-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.102
BindingDB Entry DOI: 10.7270/Q2833SD5 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50349047
(CHEMBL1807807)Show SMILES C[C@@H]1CN(CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@H]1C)c2)C(=O)C(C)(C)N |r| Show InChI InChI=1S/C29H41N5O3/c1-16-15-33(27(37)29(6,7)31)11-10-22-17(2)25-23(13-28(4,5)14-24(25)35)34(22)19-8-9-20(26(30)36)21(12-19)32-18(16)3/h8-9,12,16,18,32H,10-11,13-15,31H2,1-7H3,(H2,30,36)/t16-,18+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90alpha after 3 hrs by fluorescence polarization assay |
Bioorg Med Chem Lett 21: 4602-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.102
BindingDB Entry DOI: 10.7270/Q2833SD5 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50349032
(CHEMBL1807791)Show SMILES C[C@@H]1CNCCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@H]1C)c2 |r| Show InChI InChI=1S/C25H34N4O2/c1-14-13-27-9-8-20-15(2)23-21(11-25(4,5)12-22(23)30)29(20)17-6-7-18(24(26)31)19(10-17)28-16(14)3/h6-7,10,14,16,27-28H,8-9,11-13H2,1-5H3,(H2,26,31)/t14-,16+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90alpha after 3 hrs by fluorescence polarization assay |
Bioorg Med Chem Lett 21: 4602-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.102
BindingDB Entry DOI: 10.7270/Q2833SD5 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50349045
(CHEMBL1807805)Show SMILES CC[C@H](N)C(=O)N1CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@@H](C)[C@H](C)C1)c2 |r| Show InChI InChI=1S/C29H41N5O3/c1-7-21(30)28(37)33-11-10-23-17(3)26-24(13-29(5,6)14-25(26)35)34(23)19-8-9-20(27(31)36)22(12-19)32-18(4)16(2)15-33/h8-9,12,16,18,21,32H,7,10-11,13-15,30H2,1-6H3,(H2,31,36)/t16-,18+,21+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90alpha after 3 hrs by fluorescence polarization assay |
Bioorg Med Chem Lett 21: 4602-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.102
BindingDB Entry DOI: 10.7270/Q2833SD5 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50349042
(CHEMBL1807801)Show SMILES C[C@@H]1CN(CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@H]1C)c2)C(=O)CO |r| Show InChI InChI=1S/C27H36N4O4/c1-15-13-30(24(34)14-32)9-8-21-16(2)25-22(11-27(4,5)12-23(25)33)31(21)18-6-7-19(26(28)35)20(10-18)29-17(15)3/h6-7,10,15,17,29,32H,8-9,11-14H2,1-5H3,(H2,28,35)/t15-,17+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90alpha after 3 hrs by fluorescence polarization assay |
Bioorg Med Chem Lett 21: 4602-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.102
BindingDB Entry DOI: 10.7270/Q2833SD5 |
More data for this
Ligand-Target Pair | |
Capsid scaffolding protein
(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...) | BDBM50143622
(C,C,C-Trifluoro-N-[5-((E)-2-pyridin-2-yl-vinyl)-na...)Show SMILES FC(F)(F)S(=O)(=O)Nc1ccc2c(\C=C\c3ccccn3)cccc2c1 Show InChI InChI=1S/C18H13F3N2O2S/c19-18(20,21)26(24,25)23-16-9-10-17-13(4-3-5-14(17)12-16)7-8-15-6-1-2-11-22-15/h1-12,23H/b8-7+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 66 | 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 | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50349050
(CHEMBL1807810)Show SMILES C[C@@H]1CN(CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@H]1C)c2)C(=O)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C30H41N5O3/c1-17-16-34(29(38)22-7-6-11-32-22)12-10-24-18(2)27-25(14-30(4,5)15-26(27)36)35(24)20-8-9-21(28(31)37)23(13-20)33-19(17)3/h8-9,13,17,19,22,32-33H,6-7,10-12,14-16H2,1-5H3,(H2,31,37)/t17-,19+,22+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90alpha after 3 hrs by fluorescence polarization assay |
Bioorg Med Chem Lett 21: 4602-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.102
BindingDB Entry DOI: 10.7270/Q2833SD5 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50349046
(CHEMBL1807806)Show SMILES CC(C)[C@H](N)C(=O)N1CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@@H](C)[C@H](C)C1)c2 |r| Show InChI InChI=1S/C30H43N5O3/c1-16(2)27(31)29(38)34-11-10-23-18(4)26-24(13-30(6,7)14-25(26)36)35(23)20-8-9-21(28(32)37)22(12-20)33-19(5)17(3)15-34/h8-9,12,16-17,19,27,33H,10-11,13-15,31H2,1-7H3,(H2,32,37)/t17-,19+,27+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90alpha after 3 hrs by fluorescence polarization assay |
Bioorg Med Chem Lett 21: 4602-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.102
BindingDB Entry DOI: 10.7270/Q2833SD5 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50349040
(CHEMBL1807799)Show SMILES C[C@@H]1CN(CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@H]1C)c2)C(=O)CN |r| Show InChI InChI=1S/C27H37N5O3/c1-15-14-31(24(34)13-28)9-8-21-16(2)25-22(11-27(4,5)12-23(25)33)32(21)18-6-7-19(26(29)35)20(10-18)30-17(15)3/h6-7,10,15,17,30H,8-9,11-14,28H2,1-5H3,(H2,29,35)/t15-,17+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90alpha after 3 hrs by fluorescence polarization assay |
Bioorg Med Chem Lett 21: 4602-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.102
BindingDB Entry DOI: 10.7270/Q2833SD5 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50349041
(CHEMBL1807800)Show SMILES C[C@@H]1Nc2cc(ccc2C(N)=O)-n2c3CC(C)(C)CC(=O)c3c(C)c2CCCN([C@H]1C)C(=O)CO |r| Show InChI InChI=1S/C27H36N4O4/c1-15-21-7-6-10-30(24(34)14-32)17(3)16(2)29-20-11-18(8-9-19(20)26(28)35)31(21)22-12-27(4,5)13-23(33)25(15)22/h8-9,11,16-17,29,32H,6-7,10,12-14H2,1-5H3,(H2,28,35)/t16-,17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90alpha after 3 hrs by fluorescence polarization assay |
Bioorg Med Chem Lett 21: 4602-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.102
BindingDB Entry DOI: 10.7270/Q2833SD5 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50349052
(CHEMBL1806511)Show SMILES C[C@@H]1CN(CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@H]1C)c2)C(=O)[C@@H]1C[C@H](F)CN1 |r| Show InChI InChI=1S/C30H40FN5O3/c1-16-15-35(29(39)23-10-19(31)14-33-23)9-8-24-17(2)27-25(12-30(4,5)13-26(27)37)36(24)20-6-7-21(28(32)38)22(11-20)34-18(16)3/h6-7,11,16,18-19,23,33-34H,8-10,12-15H2,1-5H3,(H2,32,38)/t16-,18+,19+,23+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90alpha after 3 hrs by fluorescence polarization assay |
Bioorg Med Chem Lett 21: 4602-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.102
BindingDB Entry DOI: 10.7270/Q2833SD5 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50349039
(CHEMBL1807798)Show SMILES C[C@@H]1Nc2cc(ccc2C(N)=O)-n2c3CC(C)(C)CC(=O)c3c(C)c2CCCN([C@H]1C)C(=O)CN |r| Show InChI InChI=1S/C27H37N5O3/c1-15-21-7-6-10-31(24(34)14-28)17(3)16(2)30-20-11-18(8-9-19(20)26(29)35)32(21)22-12-27(4,5)13-23(33)25(15)22/h8-9,11,16-17,30H,6-7,10,12-14,28H2,1-5H3,(H2,29,35)/t16-,17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90alpha after 3 hrs by fluorescence polarization assay |
Bioorg Med Chem Lett 21: 4602-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.102
BindingDB Entry DOI: 10.7270/Q2833SD5 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50349031
(CHEMBL1807790)Show SMILES C[C@@H]1NCCCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@H]1C)c2 |r| Show InChI InChI=1S/C25H34N4O2/c1-14-20-7-6-10-27-15(2)16(3)28-19-11-17(8-9-18(19)24(26)31)29(20)21-12-25(4,5)13-22(30)23(14)21/h8-9,11,15-16,27-28H,6-7,10,12-13H2,1-5H3,(H2,26,31)/t15-,16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90alpha after 3 hrs by fluorescence polarization assay |
Bioorg Med Chem Lett 21: 4602-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.102
BindingDB Entry DOI: 10.7270/Q2833SD5 |
More data for this
Ligand-Target Pair | |
Search and Browse
