Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]' and Ligand = 'BDBM497351'   

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))	BDBM497351 (7-[[(1S)-1-[4-[2- Cyclopropyl-1-(4-prop-2- enoylpi...) Show SMILES C[C@H](Nc1cc2N(C)C(=O)OCc2cn1)c1ccc(cc1)C(CC1CC1)N1CCN(CC1)C(=O)C=C |r| Show InChI InChI=1S/C28H35N5O3/c1-4-27(34)33-13-11-32(12-14-33)25(15-20-5-6-20)22-9-7-21(8-10-22)19(2)30-26-16-24-23(17-29-26)18-36-28(35)31(24)3/h4,7-10,16-17,19-20,25H,1,5-6,11-15,18H2,2-3H3,(H,29,30)/t19-,25?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.43	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...				US Patent US11001596 (2021) BindingDB Entry DOI: 10.7270/Q21V5J2Z
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM497351 (7-[[(1S)-1-[4-[2- Cyclopropyl-1-(4-prop-2- enoylpi...) Show SMILES C[C@H](Nc1cc2N(C)C(=O)OCc2cn1)c1ccc(cc1)C(CC1CC1)N1CCN(CC1)C(=O)C=C |r| Show InChI InChI=1S/C28H35N5O3/c1-4-27(34)33-13-11-32(12-14-33)25(15-20-5-6-20)22-9-7-21(8-10-22)19(2)30-26-16-24-23(17-29-26)18-36-28(35)31(24)3/h4,7-10,16-17,19-20,25H,1,5-6,11-15,18H2,2-3H3,(H,29,30)/t19-,25?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	7.43	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2MK6HT9
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM497351 (7-[[(1S)-1-[4-[2- Cyclopropyl-1-(4-prop-2- enoylpi...) Show SMILES C[C@H](Nc1cc2N(C)C(=O)OCc2cn1)c1ccc(cc1)C(CC1CC1)N1CCN(CC1)C(=O)C=C |r| Show InChI InChI=1S/C28H35N5O3/c1-4-27(34)33-13-11-32(12-14-33)25(15-20-5-6-20)22-9-7-21(8-10-22)19(2)30-26-16-24-23(17-29-26)18-36-28(35)31(24)3/h4,7-10,16-17,19-20,25H,1,5-6,11-15,18H2,2-3H3,(H,29,30)/t19-,25?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13.9	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...				US Patent US11001596 (2021) BindingDB Entry DOI: 10.7270/Q21V5J2Z
					More data for this Ligand-Target Pair