BindingDB logo
myBDB logout

BDBM346984 US10202379, Reference Example 726

SMILES: C[C@@H](N1CN([C@@H]2c3cccc(F)c3SCc3cccc(C#C)c23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F

InChI Key: InChIKey=DFWDQPBDBBUOQU-SPLOXXLWSA-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 = 346984   
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))
BDBM346984
PNG
(US10202379, Reference Example 726)
Show SMILES C[C@@H](N1CN([C@@H]2c3cccc(F)c3SCc3cccc(C#C)c23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C26H19F4N3O3S/c1-3-15-6-4-7-16-12-37-24-17(8-5-9-18(24)27)21(20(15)16)33-13-31(14(2)26(28,29)30)25(36)22-23(35)19(34)10-11-32(22)33/h1,4-11,14,21,35H,12-13H2,2H3/t14-,21-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 3.93n/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))
BDBM346984
PNG
(US10202379, Reference Example 726)
Show SMILES C[C@@H](N1CN([C@@H]2c3cccc(F)c3SCc3cccc(C#C)c23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C26H19F4N3O3S/c1-3-15-6-4-7-16-12-37-24-17(8-5-9-18(24)27)21(20(15)16)33-13-31(14(2)26(28,29)30)25(36)22-23(35)19(34)10-11-32(22)33/h1,4-11,14,21,35H,12-13H2,2H3/t14-,21-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.74n/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