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BDBM346710 US10202379, Reference Example 312

SMILES: CCOCCN1CN(C2c3ccccc3CSc3ccccc23)n2ccc(=O)c(O)c2C1=O

InChI Key: InChIKey=UEERTOUORLJVTM-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 346710   
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
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM346710
PNG
(US10202379, Reference Example 312)
Show SMILES CCOCCN1CN(C2c3ccccc3CSc3ccccc23)n2ccc(=O)c(O)c2C1=O
Show InChI InChI=1S/C25H25N3O4S/c1-2-32-14-13-26-16-28(27-12-11-20(29)24(30)23(27)25(26)31)22-18-8-4-3-7-17(18)15-33-21-10-6-5-9-19(21)22/h3-12,22,30H,2,13-16H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 29n/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))
BDBM346710
PNG
(US10202379, Reference Example 312)
Show SMILES CCOCCN1CN(C2c3ccccc3CSc3ccccc23)n2ccc(=O)c(O)c2C1=O
Show InChI InChI=1S/C25H25N3O4S/c1-2-32-14-13-26-16-28(27-12-11-20(29)24(30)23(27)25(26)31)22-18-8-4-3-7-17(18)15-33-21-10-6-5-9-19(21)22/h3-12,22,30H,2,13-16H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 19n/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