Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]' and Ligand = 'BDBM486099'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM486099 (US10946023, Compound 50) Show SMILES C[C@@H](Nc1nc(NC2CCC(F)(F)CC2)nc(n1)-c1cccc(C)n1)C1CC1 |r| Show InChI InChI=1S/C20H26F2N6/c1-12-4-3-5-16(23-12)17-26-18(24-13(2)14-6-7-14)28-19(27-17)25-15-8-10-20(21,22)11-9-15/h3-5,13-15H,6-11H2,1-2H3,(H2,24,25,26,27,28)/t13-/m1/s1	PDB UniProtKB/SwissProt 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 US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM486099 (US10946023, Compound 50) Show SMILES C[C@@H](Nc1nc(NC2CCC(F)(F)CC2)nc(n1)-c1cccc(C)n1)C1CC1 |r| Show InChI InChI=1S/C20H26F2N6/c1-12-4-3-5-16(23-12)17-26-18(24-13(2)14-6-7-14)28-19(27-17)25-15-8-10-20(21,22)11-9-15/h3-5,13-15H,6-11H2,1-2H3,(H2,24,25,26,27,28)/t13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia 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 US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair