Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic' and Ligand = 'BDBM50567782'   

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))	BDBM50567782 (CHEMBL4857251) Show SMILES CCOc1ccc(OCC)c(c1)-n1c2CC(C)(C)CC(=O)c2cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O |(57.25,-13.98,;55.92,-13.21,;54.58,-13.98,;53.25,-13.2,;51.91,-13.97,;50.58,-13.2,;50.59,-11.66,;49.26,-10.88,;47.92,-11.64,;46.59,-10.86,;51.93,-10.9,;53.26,-11.67,;51.94,-9.36,;50.62,-8.59,;49.27,-9.34,;47.96,-8.59,;47.19,-9.92,;46.42,-8.58,;47.96,-7.05,;49.29,-6.27,;49.29,-4.73,;50.62,-7.05,;51.95,-6.28,;53.28,-7.06,;54.62,-6.29,;56.02,-6.92,;57.06,-5.78,;56.29,-4.45,;54.78,-4.76,;58.58,-5.95,;59.2,-7.36,;60.73,-7.53,;61.64,-6.29,;63.18,-6.46,;61.02,-4.88,;59.49,-4.71,;53.28,-8.6,;54.61,-9.38,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	64	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
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50567782 (CHEMBL4857251) Show SMILES CCOc1ccc(OCC)c(c1)-n1c2CC(C)(C)CC(=O)c2cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O |(57.25,-13.98,;55.92,-13.21,;54.58,-13.98,;53.25,-13.2,;51.91,-13.97,;50.58,-13.2,;50.59,-11.66,;49.26,-10.88,;47.92,-11.64,;46.59,-10.86,;51.93,-10.9,;53.26,-11.67,;51.94,-9.36,;50.62,-8.59,;49.27,-9.34,;47.96,-8.59,;47.19,-9.92,;46.42,-8.58,;47.96,-7.05,;49.29,-6.27,;49.29,-4.73,;50.62,-7.05,;51.95,-6.28,;53.28,-7.06,;54.62,-6.29,;56.02,-6.92,;57.06,-5.78,;56.29,-4.45,;54.78,-4.76,;58.58,-5.95,;59.2,-7.36,;60.73,-7.53,;61.64,-6.29,;63.18,-6.46,;61.02,-4.88,;59.49,-4.71,;53.28,-8.6,;54.61,-9.38,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	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