Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]' and Ligand = 'BDBM279913'   

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))	BDBM279913 (US10028961, Compound 60 | US10172864, Compound 60 ...) Show SMILES C[C@@H](Nc1nc(NC2Cc3ccccc3C2)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1 |r| Show InChI InChI=1S/C23H23F3N6/c1-13(14-9-10-14)27-21-30-20(18-7-4-8-19(29-18)23(24,25)26)31-22(32-21)28-17-11-15-5-2-3-6-16(15)12-17/h2-8,13-14,17H,9-12H2,1H3,(H2,27,28,30,31,32)/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	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
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM279913 (US10028961, Compound 60 | US10172864, Compound 60 ...) Show SMILES C[C@@H](Nc1nc(NC2Cc3ccccc3C2)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1 |r| Show InChI InChI=1S/C23H23F3N6/c1-13(14-9-10-14)27-21-30-20(18-7-4-8-19(29-18)23(24,25)26)31-22(32-21)28-17-11-15-5-2-3-6-16(15)12-17/h2-8,13-14,17H,9-12H2,1H3,(H2,27,28,30,31,32)/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
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM279913 (US10028961, Compound 60 | US10172864, Compound 60 ...) Show SMILES C[C@@H](Nc1nc(NC2Cc3ccccc3C2)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1 |r| Show InChI InChI=1S/C23H23F3N6/c1-13(14-9-10-14)27-21-30-20(18-7-4-8-19(29-18)23(24,25)26)31-22(32-21)28-17-11-15-5-2-3-6-16(15)12-17/h2-8,13-14,17H,9-12H2,1H3,(H2,27,28,30,31,32)/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 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