Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic' and Ligand = 'BDBM50586272'   

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))	BDBM50586272 (CHEMBL5083571) Show SMILES CC(C)O[C@H]1CC[C@@H](CC1)C(=O)N1Cc2cccnc2Nc2cnn(CC3CCOCC3)c12 |r,wU:7.10,wD:4.3,(7.03,5.45,;5.94,4.36,;6.34,2.87,;4.45,4.76,;3.36,3.67,;1.88,4.07,;.79,2.98,;1.19,1.49,;2.67,1.09,;3.76,2.18,;.1,.4,;-1.39,.8,;.49,-1.09,;2,-1.43,;2.67,-2.81,;4.19,-2.7,;5.04,-3.97,;4.37,-5.34,;2.85,-5.45,;2,-4.18,;.5,-4.53,;-.7,-3.58,;-2.17,-4.05,;-3.07,-2.81,;-2.17,-1.56,;-2.57,-.07,;-4.05,.33,;-5.14,-.76,;-6.63,-.36,;-7.03,1.12,;-5.94,2.21,;-4.45,1.81,;-.7,-2.04,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.39E+3	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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