BDBM279998 US10028961, Compound 151::US10172864, Compound 151

SMILES: FC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)C2)nc(Nc2ccnc(c2)C2(CC2)[N+]#[C-])n1

InChI Key: InChIKey=LVLCYRFGYKSVJF-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 279998   

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 R132H (Homo sapiens (Human))	BDBM279998 (US10028961, Compound 151 | US10172864, Compound 15...) Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)C2)nc(Nc2ccnc(c2)C2(CC2)[N+]#[C-])n1 Show InChI InChI=1S/C23H19F5N8/c1-29-21(8-9-21)17-11-13(6-10-30-17)31-19-34-18(15-3-2-4-16(33-15)23(26,27)28)35-20(36-19)32-14-5-7-22(24,25)12-14/h2-4,6,10-11,14H,5,7-9,12H2,(H2,30,31,32,34,35,36)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	6.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
IDH1 R132C (Homo sapiens (Human))	BDBM279998 (US10028961, Compound 151 | US10172864, Compound 15...) Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)C2)nc(Nc2ccnc(c2)C2(CC2)[N+]#[C-])n1 Show InChI InChI=1S/C23H19F5N8/c1-29-21(8-9-21)17-11-13(6-10-30-17)31-19-34-18(15-3-2-4-16(33-15)23(26,27)28)35-20(36-19)32-14-5-7-22(24,25)12-14/h2-4,6,10-11,14H,5,7-9,12H2,(H2,30,31,32,34,35,36)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	6.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
IDH2(R140Q) (Homo sapiens (Human))	BDBM279998 (US10028961, Compound 151 | US10172864, Compound 15...) Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)C2)nc(Nc2ccnc(c2)C2(CC2)[N+]#[C-])n1 Show InChI InChI=1S/C23H19F5N8/c1-29-21(8-9-21)17-11-13(6-10-30-17)31-19-34-18(15-3-2-4-16(33-15)23(26,27)28)35-20(36-19)32-14-5-7-22(24,25)12-14/h2-4,6,10-11,14H,5,7-9,12H2,(H2,30,31,32,34,35,36)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
IDH1 R132H (Homo sapiens (Human))	BDBM279998 (US10028961, Compound 151 | US10172864, Compound 15...) Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)C2)nc(Nc2ccnc(c2)C2(CC2)[N+]#[C-])n1 Show InChI InChI=1S/C23H19F5N8/c1-29-21(8-9-21)17-11-13(6-10-30-17)31-19-34-18(15-3-2-4-16(33-15)23(26,27)28)35-20(36-19)32-14-5-7-22(24,25)12-14/h2-4,6,10-11,14H,5,7-9,12H2,(H2,30,31,32,34,35,36)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description A test compound is prepared as 10 mM stock in DMSO and diluted to 50× final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...				US Patent US10172864 (2019) BindingDB Entry DOI: 10.7270/Q2ZK5JQ3
					More data for this Ligand-Target Pair
IDH1 R132H (Homo sapiens (Human))	BDBM279998 (US10028961, Compound 151 | US10172864, Compound 15...) Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)C2)nc(Nc2ccnc(c2)C2(CC2)[N+]#[C-])n1 Show InChI InChI=1S/C23H19F5N8/c1-29-21(8-9-21)17-11-13(6-10-30-17)31-19-34-18(15-3-2-4-16(33-15)23(26,27)28)35-20(36-19)32-14-5-7-22(24,25)12-14/h2-4,6,10-11,14H,5,7-9,12H2,(H2,30,31,32,34,35,36)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema...				US Patent US10172864 (2019) BindingDB Entry DOI: 10.7270/Q2ZK5JQ3
					More data for this Ligand-Target Pair
IDH1 R132H (Homo sapiens (Human))	BDBM279998 (US10028961, Compound 151 | US10172864, Compound 15...) Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)C2)nc(Nc2ccnc(c2)C2(CC2)[N+]#[C-])n1 Show InChI InChI=1S/C23H19F5N8/c1-29-21(8-9-21)17-11-13(6-10-30-17)31-19-34-18(15-3-2-4-16(33-15)23(26,27)28)35-20(36-19)32-14-5-7-22(24,25)12-14/h2-4,6,10-11,14H,5,7-9,12H2,(H2,30,31,32,34,35,36)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema...				US Patent US10172864 (2019) BindingDB Entry DOI: 10.7270/Q2ZK5JQ3
					More data for this Ligand-Target Pair
IDH2(R140Q) (Homo sapiens (Human))	BDBM279998 (US10028961, Compound 151 | US10172864, Compound 15...) Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)C2)nc(Nc2ccnc(c2)C2(CC2)[N+]#[C-])n1 Show InChI InChI=1S/C23H19F5N8/c1-29-21(8-9-21)17-11-13(6-10-30-17)31-19-34-18(15-3-2-4-16(33-15)23(26,27)28)35-20(36-19)32-14-5-7-22(24,25)12-14/h2-4,6,10-11,14H,5,7-9,12H2,(H2,30,31,32,34,35,36)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10172864 (2019) BindingDB Entry DOI: 10.7270/Q2ZK5JQ3
					More data for this Ligand-Target Pair
IDH1 R132H (Homo sapiens (Human))	BDBM279998 (US10028961, Compound 151 | US10172864, Compound 15...) Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)C2)nc(Nc2ccnc(c2)C2(CC2)[N+]#[C-])n1 Show InChI InChI=1S/C23H19F5N8/c1-29-21(8-9-21)17-11-13(6-10-30-17)31-19-34-18(15-3-2-4-16(33-15)23(26,27)28)35-20(36-19)32-14-5-7-22(24,25)12-14/h2-4,6,10-11,14H,5,7-9,12H2,(H2,30,31,32,34,35,36)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description A test compound is prepared as 10 mM stock in DMSO and diluted to 50× final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair