Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic' and Ligand = 'BDBM50529021'   

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 (Homo sapiens (Human))	BDBM50529021 (CHEMBL4467991) Show SMILES [H][C@@]1(COC(=O)N1c1ccnc(N[C@@H](C)c2ncn-3c2CCc2cc(Cl)ccc-32)n1)[C@H](C)F |r| Show InChI InChI=1S/C22H22ClFN6O2/c1-12(24)18-10-32-22(31)30(18)19-7-8-25-21(28-19)27-13(2)20-17-5-3-14-9-15(23)4-6-16(14)29(17)11-26-20/h4,6-9,11-13,18H,3,5,10H2,1-2H3,(H,25,27,28)/t12-,13-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His8-tagged IDH1 R132H mutant expressed in Escherichia coli BL21 assessed as reduction in NADPH consumptio...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111694 BindingDB Entry DOI: 10.7270/Q2XS5ZVM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50529021 (CHEMBL4467991) Show SMILES [H][C@@]1(COC(=O)N1c1ccnc(N[C@@H](C)c2ncn-3c2CCc2cc(Cl)ccc-32)n1)[C@H](C)F |r| Show InChI InChI=1S/C22H22ClFN6O2/c1-12(24)18-10-32-22(31)30(18)19-7-8-25-21(28-19)27-13(2)20-17-5-3-14-9-15(23)4-6-16(14)29(17)11-26-20/h4,6-9,11-13,18H,3,5,10H2,1-2H3,(H,25,27,28)/t12-,13-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His8-tagged IDH1 R132C mutant expressed in Escherichia coli BL21 assessed as reduction in NADPH consumptio...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111694 BindingDB Entry DOI: 10.7270/Q2XS5ZVM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50529021 (CHEMBL4467991) Show SMILES [H][C@@]1(COC(=O)N1c1ccnc(N[C@@H](C)c2ncn-3c2CCc2cc(Cl)ccc-32)n1)[C@H](C)F |r| Show InChI InChI=1S/C22H22ClFN6O2/c1-12(24)18-10-32-22(31)30(18)19-7-8-25-21(28-19)27-13(2)20-17-5-3-14-9-15(23)4-6-16(14)29(17)11-26-20/h4,6-9,11-13,18H,3,5,10H2,1-2H3,(H,25,27,28)/t12-,13-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of IDH1 R132C mutant in human HT1080 cells assessed as reduction in 2-HG production incubated with compound for 48 hrs by D2HG assay kit b...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111694 BindingDB Entry DOI: 10.7270/Q2XS5ZVM
					More data for this Ligand-Target Pair