BindingDB logo
myBDB logout

PubChem AID 651973

Compile data set for download or QSAR
Found 30 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM95679
PNG
(1-benzyl-3,5-dimethyl-pyrazole-4-carboxylic acid [...)
Show SMILES Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCC(=O)Nc1ccccc1SCC#N
Show InChI InChI=1S/C23H22N4O3S/c1-16-22(17(2)27(26-16)14-18-8-4-3-5-9-18)23(29)30-15-21(28)25-19-10-6-7-11-20(19)31-13-12-24/h3-11H,13-15H2,1-2H3,(H,25,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>3.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2SX6BVP
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM95480
PNG
(2-[(4-ethyl-5-isopropyl-1,2,4-triazol-3-yl)thio]-N...)
Show SMILES CCOc1ccc(NC(=O)CSc2nnc(C(C)C)n2CC)cc1
Show InChI InChI=1S/C17H24N4O2S/c1-5-21-16(12(3)4)19-20-17(21)24-11-15(22)18-13-7-9-14(10-8-13)23-6-2/h7-10,12H,5-6,11H2,1-4H3,(H,18,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>3.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2SX6BVP
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM68570
PNG
(MLS000052177 | N-(1,3-benzodioxol-5-yl)-2-(2-chlor...)
Show SMILES Clc1cc(ccc1OCC(=O)Nc1ccc2OCOc2c1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C19H19ClN2O6S/c20-15-10-14(29(24,25)22-7-1-2-8-22)4-6-16(15)26-11-19(23)21-13-3-5-17-18(9-13)28-12-27-17/h3-6,9-10H,1-2,7-8,11-12H2,(H,21,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>3.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2SX6BVP
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM38187
PNG
(MLS000115911 | N-(4-chlorophenyl)-2-[(5-cyclopropy...)
Show SMILES CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1C1CC1
Show InChI InChI=1S/C15H17ClN4OS/c1-2-20-14(10-3-4-10)18-19-15(20)22-9-13(21)17-12-7-5-11(16)6-8-12/h5-8,10H,2-4,9H2,1H3,(H,17,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>3.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2SX6BVP
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM95681
PNG
(1-benzyl-6-keto-pyridazine-3-carboxylic acid [2-(2...)
Show SMILES O=C(COC(=O)c1ccc(=O)n(Cc2ccccc2)n1)Nc1ccc2OCCOc2c1
Show InChI InChI=1S/C22H19N3O6/c26-20(23-16-6-8-18-19(12-16)30-11-10-29-18)14-31-22(28)17-7-9-21(27)25(24-17)13-15-4-2-1-3-5-15/h1-9,12H,10-11,13-14H2,(H,23,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>3.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2SX6BVP
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM95476
PNG
(MLS000050294 | N-[2-methyl-5-(3-methyl-[1,2,4]tria...)
Show SMILES Cc1nnc2sc(nn12)-c1ccc(C)c(NC(=O)c2cccs2)c1
Show InChI InChI=1S/C16H13N5OS2/c1-9-5-6-11(15-20-21-10(2)18-19-16(21)24-15)8-12(9)17-14(22)13-4-3-7-23-13/h3-8H,1-2H3,(H,17,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>3.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2SX6BVP
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM95474
PNG
(MLS000047465 | N-(2,3-dihydro-1,4-benzodioxin-6-yl...)
Show SMILES COc1ccccc1NC(=O)CN1CCN(CC(=O)Nc2ccc3OCCOc3c2)CC1
Show InChI InChI=1S/C23H28N4O5/c1-30-19-5-3-2-4-18(19)25-23(29)16-27-10-8-26(9-11-27)15-22(28)24-17-6-7-20-21(14-17)32-13-12-31-20/h2-7,14H,8-13,15-16H2,1H3,(H,24,28)(H,25,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>3.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2SX6BVP
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM95473
PNG
(4-[[2-[4-(4-chlorophenyl)-1-piperazinyl]-1-oxoethy...)
Show SMILES COC(=O)c1ccc(NC(=O)CN2CCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H22ClN3O3/c1-27-20(26)15-2-6-17(7-3-15)22-19(25)14-23-10-12-24(13-11-23)18-8-4-16(21)5-9-18/h2-9H,10-14H2,1H3,(H,22,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>3.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2SX6BVP
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM95487
PNG
(MLS000566229 | N-[2-(1-cyclohexenyl)ethyl]-2-[4-(3...)
Show SMILES COc1ccc(cc1OC)C1(C)NC(=O)N(CC(=O)NCCC2=CCCCC2)C1=O
Show InChI InChI=1S/C22H29N3O5/c1-22(16-9-10-17(29-2)18(13-16)30-3)20(27)25(21(28)24-22)14-19(26)23-12-11-15-7-5-4-6-8-15/h7,9-10,13H,4-6,8,11-12,14H2,1-3H3,(H,23,26)(H,24,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>3.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2SX6BVP
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM95479
PNG
(MLS000115704 | N-[2-methyl-5-(3-methyl-[1,2,4]tria...)
Show SMILES Cc1nnc2sc(nn12)-c1ccc(C)c(NC(=O)c2ccco2)c1
Show InChI InChI=1S/C16H13N5O2S/c1-9-5-6-11(15-20-21-10(2)18-19-16(21)24-15)8-12(9)17-14(22)13-4-3-7-23-13/h3-8H,1-2H3,(H,17,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>3.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2SX6BVP
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM95483
PNG
(2-[4-[2-(4-ethoxyanilino)-2-oxoethyl]-1-piperaziny...)
Show SMILES CCOc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccc(OC)cc3)CC2)cc1
Show InChI InChI=1S/C23H30N4O4/c1-3-31-21-10-6-19(7-11-21)25-23(29)17-27-14-12-26(13-15-27)16-22(28)24-18-4-8-20(30-2)9-5-18/h4-11H,3,12-17H2,1-2H3,(H,24,28)(H,25,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>3.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2SX6BVP
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM95484
PNG
(4-amino-3-(4-methoxyphenyl)-N-(3-pyridinylmethyl)-...)
Show SMILES COc1ccc(cc1)-n1c(N)c(sc1=S)C(=O)NCc1cccnc1
Show InChI InChI=1S/C17H16N4O2S2/c1-23-13-6-4-12(5-7-13)21-15(18)14(25-17(21)24)16(22)20-10-11-3-2-8-19-9-11/h2-9H,10,18H2,1H3,(H,20,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>3.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2SX6BVP
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM95488
PNG
((5Z)-5-[4-[(4-methyl-2-oxido-furazan-2-ium-3-yl)me...)
Show SMILES Cc1n[o+]n([O-])c1COc1ccc(\C=C2/NC(=S)NC2=O)cc1
Show InChI InChI=1S/C14H12N4O4S/c1-8-12(18(20)22-17-8)7-21-10-4-2-9(3-5-10)6-11-13(19)16-14(23)15-11/h2-6H,7H2,1H3,(H2,15,16,19,23)/b11-6-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>3.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2SX6BVP
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM95469
PNG
((2S)-2-[5-[[2-(2,4-dimethylanilino)-2-keto-ethyl]t...)
Show SMILES Cc1ccc(NC(=O)CSc2nnc(o2)[C@@H]2CCCN2C(=O)OC(C)(C)C)c(C)c1
Show InChI InChI=1S/C21H28N4O4S/c1-13-8-9-15(14(2)11-13)22-17(26)12-30-19-24-23-18(28-19)16-7-6-10-25(16)20(27)29-21(3,4)5/h8-9,11,16H,6-7,10,12H2,1-5H3,(H,22,26)/t16-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>3.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2SX6BVP
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM95468
PNG
(4-[(2,3-Dihydro-benzo[1,4]dioxin-6-ylcarbamoyl)-me...)
Show SMILES CCOC(=O)c1cc2sccc2n1CC(=O)Nc1ccc2OCCOc2c1
Show InChI InChI=1S/C19H18N2O5S/c1-2-24-19(23)14-10-17-13(5-8-27-17)21(14)11-18(22)20-12-3-4-15-16(9-12)26-7-6-25-15/h3-5,8-10H,2,6-7,11H2,1H3,(H,20,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>3.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2SX6BVP
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM95475
PNG
(2-ethoxy-N-(4-{[(2-phenylethyl)amino]sulfonyl}phen...)
Show SMILES CCOCC(=O)Nc1ccc(cc1)S(=O)(=O)NCCc1ccccc1
Show InChI InChI=1S/C18H22N2O4S/c1-2-24-14-18(21)20-16-8-10-17(11-9-16)25(22,23)19-13-12-15-6-4-3-5-7-15/h3-11,19H,2,12-14H2,1H3,(H,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>3.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2SX6BVP
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM95471
PNG
(3-(cyclopropanecarbonylamino)-N-(3-methoxyphenyl)-...)
Show SMILES COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)C2CC2)c1
Show InChI InChI=1S/C20H18N2O4/c1-25-14-6-4-5-13(11-14)21-20(24)18-17(22-19(23)12-9-10-12)15-7-2-3-8-16(15)26-18/h2-8,11-12H,9-10H2,1H3,(H,21,24)(H,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>3.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2SX6BVP
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM68466
PNG
(2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-N-(4-bro...)
Show SMILES Brc1ccc(NC(=O)CN2C(=O)CCC2=O)cc1
Show InChI InChI=1S/C12H11BrN2O3/c13-8-1-3-9(4-2-8)14-10(16)7-15-11(17)5-6-12(15)18/h1-4H,5-7H2,(H,14,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>3.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2SX6BVP
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM95472
PNG
(MLS000047362 | N-(3-fluoranyl-4-methyl-phenyl)-2-[...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC(=O)Nc2ccc(C)c(F)c2)CC1
Show InChI InChI=1S/C20H24FN3O4S/c1-15-3-4-16(13-19(15)21)22-20(25)14-23-9-11-24(12-10-23)29(26,27)18-7-5-17(28-2)6-8-18/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>3.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2SX6BVP
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM49038
PNG
(MLS000057474 | N-(2-furanylmethyl)-4-oxo-3-phenyl-...)
Show SMILES O=C(NCc1ccco1)c1nn(-c2ccccc2)c(=O)c2ccccc12
Show InChI InChI=1S/C20H15N3O3/c24-19(21-13-15-9-6-12-26-15)18-16-10-4-5-11-17(16)20(25)23(22-18)14-7-2-1-3-8-14/h1-12H,13H2,(H,21,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>3.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2SX6BVP
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM95482
PNG
(4-[5-(2-methoxyphenoxy)-1,2,3,4-tetrazol-1-yl]benz...)
Show SMILES COc1ccccc1Oc1nnnn1-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C15H13N5O3/c1-22-12-4-2-3-5-13(12)23-15-17-18-19-20(15)11-8-6-10(7-9-11)14(16)21/h2-9H,1H3,(H2,16,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>3.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2SX6BVP
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM95486
PNG
(5-methyl-3-phenyl-4-isoxazolecarboxylic acid [2-(4...)
Show SMILES COc1ccc(NC(=O)COC(=O)c2c(C)onc2-c2ccccc2)cc1
Show InChI InChI=1S/C20H18N2O5/c1-13-18(19(22-27-13)14-6-4-3-5-7-14)20(24)26-12-17(23)21-15-8-10-16(25-2)11-9-15/h3-11H,12H2,1-2H3,(H,21,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>3.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2SX6BVP
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM95485
PNG
(3-[2-(4-ethoxyphenoxy)ethyl]-5-(1H-indol-3-ylmethy...)
Show SMILES CCOc1ccc(OCCN2C(=O)NC(Cc3c[nH]c4ccccc34)C2=O)cc1
Show InChI InChI=1S/C22H23N3O4/c1-2-28-16-7-9-17(10-8-16)29-12-11-25-21(26)20(24-22(25)27)13-15-14-23-19-6-4-3-5-18(15)19/h3-10,14,20,23H,2,11-13H2,1H3,(H,24,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>3.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2SX6BVP
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM95481
PNG
(1-[(1-tert-amyltetrazol-5-yl)methyl]-4-[3-(trifluo...)
Show SMILES CCC(C)(C)n1nnnc1CN1CCC(O)(CC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C19H26F3N5O/c1-4-17(2,3)27-16(23-24-25-27)13-26-10-8-18(28,9-11-26)14-6-5-7-15(12-14)19(20,21)22/h5-7,12,28H,4,8-11,13H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>3.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2SX6BVP
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM95478
PNG
((2E)-1-(4-methoxyphenyl)-5,7-dimethyl-2-(2-oxidany...)
Show SMILES COc1ccc(cc1)N1C(NC(=O)c2c(C)cc(C)nc12)=CC(C)=O
Show InChI InChI=1S/C19H19N3O3/c1-11-9-12(2)20-18-17(11)19(24)21-16(10-13(3)23)22(18)14-5-7-15(25-4)8-6-14/h5-10H,1-4H3,(H,21,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>3.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2SX6BVP
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM95680
PNG
(MLS000097457 | N-(2-methoxyphenyl)-4-[2-[(1-methyl...)
Show SMILES COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2nnnn2C)cc1
Show InChI InChI=1S/C18H18N6O3S/c1-24-18(21-22-23-24)28-11-16(25)19-13-9-7-12(8-10-13)17(26)20-14-5-3-4-6-15(14)27-2/h3-10H,11H2,1-2H3,(H,19,25)(H,20,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>3.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2SX6BVP
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM95477
PNG
(3,4,5-trimethoxy-N-[2-(4-methylsulfonyl-1-piperazi...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccccc1N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C21H27N3O6S/c1-28-18-13-15(14-19(29-2)20(18)30-3)21(25)22-16-7-5-6-8-17(16)23-9-11-24(12-10-23)31(4,26)27/h5-8,13-14H,9-12H2,1-4H3,(H,22,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>3.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2SX6BVP
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM87675
PNG
(MLS000091597 | N-[(5-{[2-(2,3-dihydro-1,4-benzodio...)
Show SMILES Fc1ccccc1C(=O)NCc1nnc(SCC(=O)Nc2ccc3OCCOc3c2)o1
Show InChI InChI=1S/C20H17FN4O5S/c21-14-4-2-1-3-13(14)19(27)22-10-18-24-25-20(30-18)31-11-17(26)23-12-5-6-15-16(9-12)29-8-7-28-15/h1-6,9H,7-8,10-11H2,(H,22,27)(H,23,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>3.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2SX6BVP
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM42698
PNG
(2-cyclohexyl-3-keto-N-(3-pyridylmethyl)isoindoline...)
Show SMILES O=C(NCc1cccnc1)c1cccc2CN(C3CCCCC3)C(=O)c12
Show InChI InChI=1S/C21H23N3O2/c25-20(23-13-15-6-5-11-22-12-15)18-10-4-7-16-14-24(21(26)19(16)18)17-8-2-1-3-9-17/h4-7,10-12,17H,1-3,8-9,13-14H2,(H,23,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>3.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2SX6BVP
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM95470
PNG
((2S)-2-[5-[[2-(2-ethylanilino)-2-keto-ethyl]thio]-...)
Show SMILES CCc1ccccc1NC(=O)CSc1nnc(o1)[C@@H]1CCCN1C(=O)OC(C)(C)C
Show InChI InChI=1S/C21H28N4O4S/c1-5-14-9-6-7-10-15(14)22-17(26)13-30-19-24-23-18(28-19)16-11-8-12-25(16)20(27)29-21(2,3)4/h6-7,9-10,16H,5,8,11-13H2,1-4H3,(H,22,26)/t16-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>3.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2SX6BVP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%