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BDBM346967 US10202379, Reference Example 686

SMILES: C[C@@H](N1CN(C2c3ccccc3CCc3cccc(Cl)c23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F

InChI Key: InChIKey=MXSKOVOMHZMSAO-CKAQCJTGSA-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 = 346967   
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))
BDBM346967
PNG
(US10202379, Reference Example 686)
Show SMILES C[C@@H](N1CN(C2c3ccccc3CCc3cccc(Cl)c23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C25H21ClF3N3O3/c1-14(25(27,28)29)30-13-32(31-12-11-19(33)23(34)22(31)24(30)35)21-17-7-3-2-5-15(17)9-10-16-6-4-8-18(26)20(16)21/h2-8,11-12,14,21,34H,9-10,13H2,1H3/t14-,21?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 7.86n/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))
BDBM346967
PNG
(US10202379, Reference Example 686)
Show SMILES C[C@@H](N1CN(C2c3ccccc3CCc3cccc(Cl)c23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C25H21ClF3N3O3/c1-14(25(27,28)29)30-13-32(31-12-11-19(33)23(34)22(31)24(30)35)21-17-7-3-2-5-15(17)9-10-16-6-4-8-18(26)20(16)21/h2-8,11-12,14,21,34H,9-10,13H2,1H3/t14-,21?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 15.1n/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