BDBM278702 (2E)-3-(3-[5-tert-Butyl-3-(2,4,6-trichlorophenyl)-1,2-oxazol-4-yl]carbonyl}-1-methyl-1H-indol-7-yl)prop-2-enoic acid::US10040791, Example 164

SMILES: Cn1cc(C(=O)c2c(noc2C(C)(C)C)-c2c(Cl)cc(Cl)cc2Cl)c2cccc(\C=C\C(O)=O)c12

InChI Key: InChIKey=KMKQLYWDTOLCEJ-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 = 278702   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
IDH1 R132C (Homo sapiens (Human))	BDBM278702 ((2E)-3-(3-[5-tert-Butyl-3-(2,4,6-trichlorophenyl)-...) Show SMILES Cn1cc(C(=O)c2c(noc2C(C)(C)C)-c2c(Cl)cc(Cl)cc2Cl)c2cccc(\C=C\C(O)=O)c12 |(1.31,-15.32,;-.03,-16.09,;-1.49,-15.62,;-2.4,-16.86,;-3.94,-16.86,;-4.71,-18.2,;-4.71,-15.53,;-6.25,-15.53,;-6.72,-14.06,;-5.48,-13.16,;-4.23,-14.06,;-2.74,-13.67,;-1.65,-14.75,;-2.34,-12.18,;-1.26,-13.27,;-7.75,-16.83,;-7.35,-18.32,;-5.86,-18.72,;-8.44,-19.41,;-9.93,-19.01,;-11.02,-20.1,;-10.33,-17.52,;-9.24,-16.44,;-9.64,-14.95,;-1.49,-18.11,;-1.81,-19.61,;-.67,-20.64,;.8,-20.17,;1.12,-18.66,;2.61,-18.26,;3,-16.78,;4.49,-16.38,;5.58,-17.47,;4.89,-14.89,;-.03,-17.63,)| Show InChI InChI=1S/C26H21Cl3N2O4/c1-26(2,3)25-21(22(30-35-25)20-17(28)10-14(27)11-18(20)29)24(34)16-12-31(4)23-13(8-9-19(32)33)6-5-7-15(16)23/h5-12H,1-4H3,(H,32,33)/b9-8+	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	95	n/a	n/a	n/a	n/a	7.5	25
Daiichi Sankyo Company, Limited; National Cancer Center 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))	BDBM278702 ((2E)-3-(3-[5-tert-Butyl-3-(2,4,6-trichlorophenyl)-...) Show SMILES Cn1cc(C(=O)c2c(noc2C(C)(C)C)-c2c(Cl)cc(Cl)cc2Cl)c2cccc(\C=C\C(O)=O)c12 |(1.31,-15.32,;-.03,-16.09,;-1.49,-15.62,;-2.4,-16.86,;-3.94,-16.86,;-4.71,-18.2,;-4.71,-15.53,;-6.25,-15.53,;-6.72,-14.06,;-5.48,-13.16,;-4.23,-14.06,;-2.74,-13.67,;-1.65,-14.75,;-2.34,-12.18,;-1.26,-13.27,;-7.75,-16.83,;-7.35,-18.32,;-5.86,-18.72,;-8.44,-19.41,;-9.93,-19.01,;-11.02,-20.1,;-10.33,-17.52,;-9.24,-16.44,;-9.64,-14.95,;-1.49,-18.11,;-1.81,-19.61,;-.67,-20.64,;.8,-20.17,;1.12,-18.66,;2.61,-18.26,;3,-16.78,;4.49,-16.38,;5.58,-17.47,;4.89,-14.89,;-.03,-17.63,)| Show InChI InChI=1S/C26H21Cl3N2O4/c1-26(2,3)25-21(22(30-35-25)20-17(28)10-14(27)11-18(20)29)24(34)16-12-31(4)23-13(8-9-19(32)33)6-5-7-15(16)23/h5-12H,1-4H3,(H,32,33)/b9-8+	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	7.5	25
Daiichi Sankyo Company, Limited; National Cancer Center 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