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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Transcription initiation factor TFIID subunit 1' and Ligand = 'BDBM346993'   
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
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM346993
PNG
(US10202379, Reference Example 768)
Show SMILES C[C@@H](N1CN([C@@H]2c3cccc(C)c3SCc3cccc(Cl)c23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C25H21ClF3N3O3S/c1-13-5-3-7-16-20(19-15(11-36-23(13)16)6-4-8-17(19)26)32-12-30(14(2)25(27,28)29)24(35)21-22(34)18(33)9-10-31(21)32/h3-10,14,20,34H,11-12H2,1-2H3/t14-,20-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 15.3n/an/an/an/an/an/a



SHIONOGI & CO., LTD.

US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...


US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM346993
PNG
(US10202379, Reference Example 768)
Show SMILES C[C@@H](N1CN([C@@H]2c3cccc(C)c3SCc3cccc(Cl)c23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C25H21ClF3N3O3S/c1-13-5-3-7-16-20(19-15(11-36-23(13)16)6-4-8-17(19)26)32-12-30(14(2)25(27,28)29)24(35)21-22(34)18(33)9-10-31(21)32/h3-10,14,20,34H,11-12H2,1-2H3/t14-,20-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 3.64n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...


US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair