Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic' and Ligand = 'BDBM50508262'   

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))	BDBM50508262 (CHEMBL4465287) Show SMILES Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCCn3ccnc3)c3cc(F)ccc23)c2cccnc12 |t:4| Show InChI InChI=1S/C25H20FN7O2/c1-31-23-17(4-2-7-28-23)22(30-31)21-20(24(34)29-25(21)35)18-13-33(10-3-9-32-11-8-27-14-32)19-12-15(26)5-6-16(18)19/h2,4-8,11-14H,3,9-10H2,1H3,(H,29,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused IDH1 R132H mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50508262 (CHEMBL4465287) Show SMILES Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCCn3ccnc3)c3cc(F)ccc23)c2cccnc12 |t:4| Show InChI InChI=1S/C25H20FN7O2/c1-31-23-17(4-2-7-28-23)22(30-31)21-20(24(34)29-25(21)35)18-13-33(10-3-9-32-11-8-27-14-32)19-12-15(26)5-6-16(18)19/h2,4-8,11-14H,3,9-10H2,1H3,(H,29,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	246	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused IDH1 R132L mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50508262 (CHEMBL4465287) Show SMILES Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCCn3ccnc3)c3cc(F)ccc23)c2cccnc12 |t:4| Show InChI InChI=1S/C25H20FN7O2/c1-31-23-17(4-2-7-28-23)22(30-31)21-20(24(34)29-25(21)35)18-13-33(10-3-9-32-11-8-27-14-32)19-12-15(26)5-6-16(18)19/h2,4-8,11-14H,3,9-10H2,1H3,(H,29,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	334	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused IDH1 R132C mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50508262 (CHEMBL4465287) Show SMILES Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCCn3ccnc3)c3cc(F)ccc23)c2cccnc12 |t:4| Show InChI InChI=1S/C25H20FN7O2/c1-31-23-17(4-2-7-28-23)22(30-31)21-20(24(34)29-25(21)35)18-13-33(10-3-9-32-11-8-27-14-32)19-12-15(26)5-6-16(18)19/h2,4-8,11-14H,3,9-10H2,1H3,(H,29,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused wild-type IDH1 using sodium (D)-isocitrate as substrate by fluorescence assay				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
					More data for this Ligand-Target Pair