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BDBM346744 US10202379, Reference Example 347

SMILES: CN1CN(C2c3ccccc3CSc3c(Cl)cccc23)n2ccc(=O)c(O)c2C1=O

InChI Key: InChIKey=KEFIOOTYRGYEAQ-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 = 346744   
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))
BDBM346744
PNG
(US10202379, Reference Example 347)
Show SMILES CN1CN(C2c3ccccc3CSc3c(Cl)cccc23)n2ccc(=O)c(O)c2C1=O
Show InChI InChI=1S/C22H18ClN3O3S/c1-24-12-26(25-10-9-17(27)20(28)19(25)22(24)29)18-14-6-3-2-5-13(14)11-30-21-15(18)7-4-8-16(21)23/h2-10,18,28H,11-12H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 17n/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))
BDBM346744
PNG
(US10202379, Reference Example 347)
Show SMILES CN1CN(C2c3ccccc3CSc3c(Cl)cccc23)n2ccc(=O)c(O)c2C1=O
Show InChI InChI=1S/C22H18ClN3O3S/c1-24-12-26(25-10-9-17(27)20(28)19(25)22(24)29)18-14-6-3-2-5-13(14)11-30-21-15(18)7-4-8-16(21)23/h2-10,18,28H,11-12H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 14n/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