Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]' and Ligand = 'BDBM280210'   

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))	BDBM280210 (US10028961, Compound 368 | US10172864, Compound 36...) Show SMILES Fc1cc(F)cc(Nc2nc(N[C@H]3CCC(F)(F)C3)nc(n2)-c2cncc(n2)C(F)(F)F)c1 |r| Show InChI InChI=1S/C19H14F7N7/c20-9-3-10(21)5-12(4-9)29-17-32-15(13-7-27-8-14(30-13)19(24,25)26)31-16(33-17)28-11-1-2-18(22,23)6-11/h3-5,7-8,11H,1-2,6H2,(H2,28,29,31,32,33)/t11-/m0/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))	BDBM280210 (US10028961, Compound 368 | US10172864, Compound 36...) Show SMILES Fc1cc(F)cc(Nc2nc(N[C@H]3CCC(F)(F)C3)nc(n2)-c2cncc(n2)C(F)(F)F)c1 |r| Show InChI InChI=1S/C19H14F7N7/c20-9-3-10(21)5-12(4-9)29-17-32-15(13-7-27-8-14(30-13)19(24,25)26)31-16(33-17)28-11-1-2-18(22,23)6-11/h3-5,7-8,11H,1-2,6H2,(H2,28,29,31,32,33)/t11-/m0/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	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
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM280210 (US10028961, Compound 368 | US10172864, Compound 36...) Show SMILES Fc1cc(F)cc(Nc2nc(N[C@H]3CCC(F)(F)C3)nc(n2)-c2cncc(n2)C(F)(F)F)c1 |r| Show InChI InChI=1S/C19H14F7N7/c20-9-3-10(21)5-12(4-9)29-17-32-15(13-7-27-8-14(30-13)19(24,25)26)31-16(33-17)28-11-1-2-18(22,23)6-11/h3-5,7-8,11H,1-2,6H2,(H2,28,29,31,32,33)/t11-/m0/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))	BDBM280210 (US10028961, Compound 368 | US10172864, Compound 36...) Show SMILES Fc1cc(F)cc(Nc2nc(N[C@H]3CCC(F)(F)C3)nc(n2)-c2cncc(n2)C(F)(F)F)c1 |r| Show InChI InChI=1S/C19H14F7N7/c20-9-3-10(21)5-12(4-9)29-17-32-15(13-7-27-8-14(30-13)19(24,25)26)31-16(33-17)28-11-1-2-18(22,23)6-11/h3-5,7-8,11H,1-2,6H2,(H2,28,29,31,32,33)/t11-/m0/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 US10172864 (2019) BindingDB Entry DOI: 10.7270/Q2ZK5JQ3
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM280210 (US10028961, Compound 368 | US10172864, Compound 36...) Show SMILES Fc1cc(F)cc(Nc2nc(N[C@H]3CCC(F)(F)C3)nc(n2)-c2cncc(n2)C(F)(F)F)c1 |r| Show InChI InChI=1S/C19H14F7N7/c20-9-3-10(21)5-12(4-9)29-17-32-15(13-7-27-8-14(30-13)19(24,25)26)31-16(33-17)28-11-1-2-18(22,23)6-11/h3-5,7-8,11H,1-2,6H2,(H2,28,29,31,32,33)/t11-/m0/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))	BDBM280210 (US10028961, Compound 368 | US10172864, Compound 36...) Show SMILES Fc1cc(F)cc(Nc2nc(N[C@H]3CCC(F)(F)C3)nc(n2)-c2cncc(n2)C(F)(F)F)c1 |r| Show InChI InChI=1S/C19H14F7N7/c20-9-3-10(21)5-12(4-9)29-17-32-15(13-7-27-8-14(30-13)19(24,25)26)31-16(33-17)28-11-1-2-18(22,23)6-11/h3-5,7-8,11H,1-2,6H2,(H2,28,29,31,32,33)/t11-/m0/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