BDBM278594 (2E)-3-(1-{[3-(2,6-Dichloro-4- methylphenyl)-5-(2- fluoropropan-2-yl)-1,2-oxazol- 4-yl]carbonyl}-3-methyl-1H- indol-4-yl)prop-2-enoic acid ::US10040791, Example 56

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

InChI Key: InChIKey=YJTOZPRYQQAIKI-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 = 278594   

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))	BDBM278594 ((2E)-3-(1-{[3-(2,6-Dichloro-4- methylphenyl)-5-(2-...) Show SMILES Cc1cn(C(=O)c2c(noc2C(C)(C)F)-c2c(Cl)cc(C)cc2Cl)c2cccc(\C=C\C(O)=O)c12 |(3.9,1.01,;2.57,.24,;1.13,.79,;.16,-.41,;-1.38,-.41,;-2.15,-1.74,;-2.15,.93,;-3.69,.93,;-4.16,2.39,;-2.92,3.3,;-1.67,2.39,;-.18,2.79,;.91,1.7,;.22,4.28,;1.3,3.19,;-4.77,-.16,;-6.26,.24,;-6.66,1.72,;-7.35,-.85,;-6.95,-2.34,;-8.04,-3.43,;-5.47,-2.74,;-4.38,-1.65,;-2.89,-2.05,;1,-1.7,;.6,-3.19,;1.69,-4.28,;3.18,-3.88,;3.58,-2.39,;5.07,-1.99,;5.47,-.5,;6.95,-.11,;8.04,-1.19,;7.35,1.38,;2.49,-1.3,)| Show InChI InChI=1S/C26H21Cl2FN2O4/c1-13-10-16(27)21(17(28)11-13)23-22(24(35-30-23)26(3,4)29)25(34)31-12-14(2)20-15(8-9-19(32)33)6-5-7-18(20)31/h5-12H,1-4H3,(H,32,33)/b9-8+	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	107	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
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H) (Homo sapiens (Human))	BDBM278594 ((2E)-3-(1-{[3-(2,6-Dichloro-4- methylphenyl)-5-(2-...) Show SMILES Cc1cn(C(=O)c2c(noc2C(C)(C)F)-c2c(Cl)cc(C)cc2Cl)c2cccc(\C=C\C(O)=O)c12 |(3.9,1.01,;2.57,.24,;1.13,.79,;.16,-.41,;-1.38,-.41,;-2.15,-1.74,;-2.15,.93,;-3.69,.93,;-4.16,2.39,;-2.92,3.3,;-1.67,2.39,;-.18,2.79,;.91,1.7,;.22,4.28,;1.3,3.19,;-4.77,-.16,;-6.26,.24,;-6.66,1.72,;-7.35,-.85,;-6.95,-2.34,;-8.04,-3.43,;-5.47,-2.74,;-4.38,-1.65,;-2.89,-2.05,;1,-1.7,;.6,-3.19,;1.69,-4.28,;3.18,-3.88,;3.58,-2.39,;5.07,-1.99,;5.47,-.5,;6.95,-.11,;8.04,-1.19,;7.35,1.38,;2.49,-1.3,)| Show InChI InChI=1S/C26H21Cl2FN2O4/c1-13-10-16(27)21(17(28)11-13)23-22(24(35-30-23)26(3,4)29)25(34)31-12-14(2)20-15(8-9-19(32)33)6-5-7-18(20)31/h5-12H,1-4H3,(H,32,33)/b9-8+	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	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