Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic' and Ligand = 'BDBM416173'   

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))	BDBM416173 (6-{[trans-4-(1- methylethoxy)cyclohexyl]car- bonyl...) Show SMILES CC(C)O[C@H]1CC[C@@H](CC1)C(=O)N1Cc2cccnc2Nc2ccc(cc12)N1CC2(C1)CCCOC2 |r,wU:7.10,wD:4.3,(7.13,5.88,;6.36,4.54,;7.13,3.21,;4.82,4.54,;4.05,3.21,;2.51,3.21,;1.74,1.88,;2.51,.54,;4.05,.54,;4.82,1.88,;1.74,-.79,;.2,-.79,;2.51,-2.12,;4.05,-2.12,;5.01,-3.33,;6.48,-2.87,;7.61,-3.92,;7.27,-5.42,;5.8,-5.88,;4.67,-4.83,;3.28,-5.5,;1.9,-4.83,;.77,-5.88,;-.7,-5.42,;-1.05,-3.92,;.08,-2.87,;1.55,-3.33,;-2.54,-3.52,;-3.31,-2.19,;-4.64,-2.96,;-3.87,-4.29,;-5.73,-4.05,;-7.22,-3.65,;-7.61,-2.16,;-6.52,-1.07,;-5.04,-1.47,)| Show InChI InChI=1S/C29H38N4O3/c1-20(2)36-24-9-6-21(7-10-24)28(34)33-16-22-5-3-13-30-27(22)31-25-11-8-23(15-26(25)33)32-17-29(18-32)12-4-14-35-19-29/h3,5,8,11,13,15,20-21,24H,4,6-7,9-10,12,14,16-19H2,1-2H3,(H,30,31)/t21-,24-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	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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