Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic' and Ligand = 'BDBM50567815'   

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))	BDBM50567815 (CHEMBL4864243) Show SMILES CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNC(C)C1 |(16.73,-13.32,;15.37,-12.59,;14.06,-13.4,;14.11,-14.93,;12.79,-15.74,;11.44,-15.01,;11.4,-13.47,;10.04,-12.73,;8.73,-13.54,;12.71,-12.67,;12.67,-11.13,;11.35,-10.37,;10.02,-11.14,;8.52,-10.73,;8.12,-9.24,;7.42,-11.82,;11.35,-8.83,;12.68,-8.05,;14.01,-8.83,;15.34,-8.06,;16.74,-8.69,;17.78,-7.54,;17.01,-6.21,;15.5,-6.52,;19.3,-7.71,;19.92,-9.12,;21.45,-9.29,;22.36,-8.04,;23.89,-8.21,;21.73,-6.63,;20.2,-6.47,;14.01,-10.37,;15.34,-11.14,;10.01,-8.06,;8.68,-8.84,;10.01,-6.52,;11.34,-5.75,;11.34,-4.22,;10,-3.44,;8.67,-4.21,;7.34,-3.44,;8.67,-5.76,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 5 mins by diaph...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00019 BindingDB Entry DOI: 10.7270/Q2FF3X3S
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50567815 (CHEMBL4864243) Show SMILES CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNC(C)C1 |(16.73,-13.32,;15.37,-12.59,;14.06,-13.4,;14.11,-14.93,;12.79,-15.74,;11.44,-15.01,;11.4,-13.47,;10.04,-12.73,;8.73,-13.54,;12.71,-12.67,;12.67,-11.13,;11.35,-10.37,;10.02,-11.14,;8.52,-10.73,;8.12,-9.24,;7.42,-11.82,;11.35,-8.83,;12.68,-8.05,;14.01,-8.83,;15.34,-8.06,;16.74,-8.69,;17.78,-7.54,;17.01,-6.21,;15.5,-6.52,;19.3,-7.71,;19.92,-9.12,;21.45,-9.29,;22.36,-8.04,;23.89,-8.21,;21.73,-6.63,;20.2,-6.47,;14.01,-10.37,;15.34,-11.14,;10.01,-8.06,;8.68,-8.84,;10.01,-6.52,;11.34,-5.75,;11.34,-4.22,;10,-3.44,;8.67,-4.21,;7.34,-3.44,;8.67,-5.76,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132C mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 5 mins by diaph...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00019 BindingDB Entry DOI: 10.7270/Q2FF3X3S
					More data for this Ligand-Target Pair