BindingDB logo
myBDB logout

1 similar compounds to monomer 95469

Compile data set for download or QSAR
Wt: 432.5
BDBM95470
Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 95470   
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
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
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (Human))
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

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>1.20E+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/Q22F7M18
More data for this
Ligand-Target Pair