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BDBM278571 (2E)-3-(1-{[5-(tert-Butyl)-3-(2,4,6-trichlorophenyl)-1,2-oxazol-4-yl]carbonyl}-3-methyl-1H-indol-4-yl)prop-2-enoic acid ::US10040791, Example 33

SMILES: Cc1cn(C(=O)c2c(noc2C(C)(C)C)-c2c(Cl)cc(Cl)cc2Cl)c2cccc(\C=C\C(O)=O)c12

InChI Key: InChIKey=KXPPLODPOGLEGB-CMDGGOBGSA-N

Data: 2 IC50

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 = 278571   
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
IDH1 R132C


(Homo sapiens (Human))
BDBM278571
PNG
( (2E)-3-(1-{[5-(tert-Butyl)-3-(2,4,6-trichlorophen...)
Show SMILES Cc1cn(C(=O)c2c(noc2C(C)(C)C)-c2c(Cl)cc(Cl)cc2Cl)c2cccc(\C=C\C(O)=O)c12
Show InChI InChI=1S/C26H21Cl3N2O4/c1-13-12-31(18-7-5-6-14(20(13)18)8-9-19(32)33)25(34)22-23(30-35-24(22)26(2,3)4)21-16(28)10-15(27)11-17(21)29/h5-12H,1-4H3,(H,32,33)/b9-8+
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 193n/an/an/an/a7.525



Daiichi Sankyo Company, Limited

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)


BindingDB Entry DOI: 10.7270/Q2JS9SF8
More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM278571
PNG
( (2E)-3-(1-{[5-(tert-Butyl)-3-(2,4,6-trichlorophen...)
Show SMILES Cc1cn(C(=O)c2c(noc2C(C)(C)C)-c2c(Cl)cc(Cl)cc2Cl)c2cccc(\C=C\C(O)=O)c12
Show InChI InChI=1S/C26H21Cl3N2O4/c1-13-12-31(18-7-5-6-14(20(13)18)8-9-19(32)33)25(34)22-23(30-35-24(22)26(2,3)4)21-16(28)10-15(27)11-17(21)29/h5-12H,1-4H3,(H,32,33)/b9-8+
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/an/an/an/a7.525



Daiichi Sankyo Company, Limited

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)


BindingDB Entry DOI: 10.7270/Q2JS9SF8
More data for this
Ligand-Target Pair