BindingDB logo
myBDB logout

BDBM278703 (2E)-3-(1-Methyl-3-{[5-(1-methylcyclopropyl)-3-(2,4,6-trichlorophenyl)-1,2-oxazol-4-yl]carbonyl}-1H-indol-7-yl)prop-2-enoic acid::US10040791, Example 165

SMILES: Cn1cc(C(=O)c2c(noc2C2(C)CC2)-c2c(Cl)cc(Cl)cc2Cl)c2cccc(\C=C\C(O)=O)c12

InChI Key: InChIKey=KDZZPEPBMYAXLB-VOTSOKGWSA-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 = 278703   
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))
BDBM278703
PNG
( (2E)-3-(1-Methyl-3-{[5-(1-methylcyclopropyl)-3-(2...)
Show SMILES Cn1cc(C(=O)c2c(noc2C2(C)CC2)-c2c(Cl)cc(Cl)cc2Cl)c2cccc(\C=C\C(O)=O)c12
Show InChI InChI=1S/C26H19Cl3N2O4/c1-26(8-9-26)25-21(22(30-35-25)20-17(28)10-14(27)11-18(20)29)24(34)16-12-31(2)23-13(6-7-19(32)33)4-3-5-15(16)23/h3-7,10-12H,8-9H2,1-2H3,(H,32,33)/b7-6+
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 81n/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))
BDBM278703
PNG
( (2E)-3-(1-Methyl-3-{[5-(1-methylcyclopropyl)-3-(2...)
Show SMILES Cn1cc(C(=O)c2c(noc2C2(C)CC2)-c2c(Cl)cc(Cl)cc2Cl)c2cccc(\C=C\C(O)=O)c12
Show InChI InChI=1S/C26H19Cl3N2O4/c1-26(8-9-26)25-21(22(30-35-25)20-17(28)10-14(27)11-18(20)29)24(34)16-12-31(2)23-13(6-7-19(32)33)4-3-5-15(16)23/h3-7,10-12H,8-9H2,1-2H3,(H,32,33)/b7-6+
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 10n/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