Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic' and Ligand = 'BDBM50508244'   

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))	BDBM50508244 (CHEMBL4476190) Show SMILES Cc1ccc2c(cn(CCCn3ccnc3)c2c1)C1=C(C(=O)NC1=O)c1nn(C)c2ncccc12 |t:21| Show InChI InChI=1S/C26H23N7O2/c1-16-6-7-17-19(14-33(20(17)13-16)11-4-10-32-12-9-27-15-32)21-22(26(35)29-25(21)34)23-18-5-3-8-28-24(18)31(2)30-23/h3,5-9,12-15H,4,10-11H2,1-2H3,(H,29,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	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))	BDBM50508244 (CHEMBL4476190) Show SMILES Cc1ccc2c(cn(CCCn3ccnc3)c2c1)C1=C(C(=O)NC1=O)c1nn(C)c2ncccc12 |t:21| Show InChI InChI=1S/C26H23N7O2/c1-16-6-7-17-19(14-33(20(17)13-16)11-4-10-32-12-9-27-15-32)21-22(26(35)29-25(21)34)23-18-5-3-8-28-24(18)31(2)30-23/h3,5-9,12-15H,4,10-11H2,1-2H3,(H,29,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	189	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))	BDBM50508244 (CHEMBL4476190) Show SMILES Cc1ccc2c(cn(CCCn3ccnc3)c2c1)C1=C(C(=O)NC1=O)c1nn(C)c2ncccc12 |t:21| Show InChI InChI=1S/C26H23N7O2/c1-16-6-7-17-19(14-33(20(17)13-16)11-4-10-32-12-9-27-15-32)21-22(26(35)29-25(21)34)23-18-5-3-8-28-24(18)31(2)30-23/h3,5-9,12-15H,4,10-11H2,1-2H3,(H,29,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	483	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))	BDBM50508244 (CHEMBL4476190) Show SMILES Cc1ccc2c(cn(CCCn3ccnc3)c2c1)C1=C(C(=O)NC1=O)c1nn(C)c2ncccc12 |t:21| Show InChI InChI=1S/C26H23N7O2/c1-16-6-7-17-19(14-33(20(17)13-16)11-4-10-32-12-9-27-15-32)21-22(26(35)29-25(21)34)23-18-5-3-8-28-24(18)31(2)30-23/h3,5-9,12-15H,4,10-11H2,1-2H3,(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