null

SMILES: Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cnccn1

InChI Key: InChIKey=XRYKKBGVCNAGKT-URXFXBBRSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 501382   

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
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM501382 (US11021515, Compound 18) Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cnccn1 |r| Show InChI InChI=1S/C27H23ClF3N5O3/c28-20-7-2-1-6-19(20)24(25(38)34-17-13-27(30,31)14-17)35(18-5-3-4-16(29)12-18)26(39)21-8-9-23(37)36(21)22-15-32-10-11-33-22/h1-7,10-12,15,17,21,24H,8-9,13-14H2,(H,34,38)/t21-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent									US Patent US11021515 (2021) BindingDB Entry DOI: 10.7270/Q24J0J8K
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM501382 (US11021515, Compound 18) Show SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cnccn1 |r| Show InChI InChI=1S/C27H23ClF3N5O3/c28-20-7-2-1-6-19(20)24(25(38)34-17-13-27(30,31)14-17)35(18-5-3-4-16(29)12-18)26(39)21-8-9-23(37)36(21)22-15-32-10-11-33-22/h1-7,10-12,15,17,21,24H,8-9,13-14H2,(H,34,38)/t21-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	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 US11021515 (2021) BindingDB Entry DOI: 10.7270/Q24J0J8K
					More data for this Ligand-Target Pair