BindingDB logo
myBDB logout

BDBM278705 3-{[5-tert-Butyl-3-(2,4,6-trichlorophenyl)-1,2-oxazol-4-yl]carbonyl}-1-methyl-1H-benzo[g]indole-8-carboxylic acid::US10040791, Example 167

SMILES: Cn1cc(C(=O)c2c(noc2C(C)(C)C)-c2c(Cl)cc(Cl)cc2Cl)c2ccc3ccc(cc3c12)C(O)=O

InChI Key: InChIKey=PSGMVWXGZRFBCU-UHFFFAOYSA-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 = 278705   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
IDH1 R132C


(Homo sapiens (Human))
BDBM278705
PNG
(3-{[5-tert-Butyl-3-(2,4,6-trichlorophenyl)-1,2-oxa...)
Show SMILES Cn1cc(C(=O)c2c(noc2C(C)(C)C)-c2c(Cl)cc(Cl)cc2Cl)c2ccc3ccc(cc3c12)C(O)=O
Show InChI InChI=1S/C28H21Cl3N2O4/c1-28(2,3)26-22(23(32-37-26)21-19(30)10-15(29)11-20(21)31)25(34)18-12-33(4)24-16(18)8-7-13-5-6-14(27(35)36)9-17(13)24/h5-12H,1-4H3,(H,35,36)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 196n/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))
BDBM278705
PNG
(3-{[5-tert-Butyl-3-(2,4,6-trichlorophenyl)-1,2-oxa...)
Show SMILES Cn1cc(C(=O)c2c(noc2C(C)(C)C)-c2c(Cl)cc(Cl)cc2Cl)c2ccc3ccc(cc3c12)C(O)=O
Show InChI InChI=1S/C28H21Cl3N2O4/c1-28(2,3)26-22(23(32-37-26)21-19(30)10-15(29)11-20(21)31)25(34)18-12-33(4)24-16(18)8-7-13-5-6-14(27(35)36)9-17(13)24/h5-12H,1-4H3,(H,35,36)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 37n/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