BDBM448751 (R)-3-(2-(((S)-1-(4-((4- acryloylpiperazin-1- yl)methyl)phenyl)ethyl)amino)-6- fluoropyrimidin-4-yl)-4-((S)-1- fluoroethyl)oxazolidin-2-one::US10696665, Example 19

SMILES: C[C@H](F)[C@H]1COC(=O)N1c1cc(F)nc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1

InChI Key: InChIKey=QDDYYGMEQZHXSV-ABSDTBQOSA-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 = 448751   

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))	BDBM448751 ((R)-3-(2-(((S)-1-(4-((4- acryloylpiperazin-1- yl)m...) Show SMILES C[C@H](F)[C@H]1COC(=O)N1c1cc(F)nc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1 |r| Show InChI InChI=1S/C25H30F2N6O3/c1-4-23(34)32-11-9-31(10-12-32)14-18-5-7-19(8-6-18)17(3)28-24-29-21(27)13-22(30-24)33-20(16(2)26)15-36-25(33)35/h4-8,13,16-17,20H,1,9-12,14-15H2,2-3H3,(H,28,29,30)/t16-,17-,20+/m0/s1	PDB GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	35.3	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...				US Patent US10696665 (2020)
					More data for this Ligand-Target Pair
IDH1 R132H (Homo sapiens (Human))	BDBM448751 ((R)-3-(2-(((S)-1-(4-((4- acryloylpiperazin-1- yl)m...) Show SMILES C[C@H](F)[C@H]1COC(=O)N1c1cc(F)nc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1 |r| Show InChI InChI=1S/C25H30F2N6O3/c1-4-23(34)32-11-9-31(10-12-32)14-18-5-7-19(8-6-18)17(3)28-24-29-21(27)13-22(30-24)33-20(16(2)26)15-36-25(33)35/h4-8,13,16-17,20H,1,9-12,14-15H2,2-3H3,(H,28,29,30)/t16-,17-,20+/m0/s1	PDB GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	50.1	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...				US Patent US10696665 (2020)
					More data for this Ligand-Target Pair