Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic' and Ligand = 'BDBM50586265'   

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))	BDBM50586265 (CHEMBL5069783) Show SMILES CC(C)O[C@H]1CC[C@@H](CC1)C(=O)N1Cc2cc(C)cnc2Nc2ccc(cc12)N1CC2CCC1CO2 |r,wU:7.10,wD:4.3,(7.2,5.45,;6.11,4.36,;6.51,2.87,;4.62,4.76,;3.53,3.67,;2.04,4.07,;.96,2.98,;1.35,1.49,;2.84,1.09,;3.93,2.18,;.27,.4,;-1.22,.8,;.66,-1.09,;2.17,-1.43,;2.84,-2.81,;4.36,-2.7,;5.21,-3.97,;6.75,-3.97,;4.54,-5.34,;3.02,-5.45,;2.17,-4.18,;.67,-4.53,;-.53,-3.58,;-1.86,-4.34,;-3.2,-3.58,;-3.2,-2.04,;-1.86,-1.27,;-.53,-2.04,;-4.53,-1.27,;-5.86,-2.04,;-7.2,-1.27,;-6.43,.07,;-5.54,-1.06,;-4.53,.27,;-5.86,1.04,;-7.2,.27,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	113	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 60 mins by Kina...				Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00089 BindingDB Entry DOI: 10.7270/Q2RJ4PCP
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