Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]' and Ligand = 'BDBM422928'   

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 [R132H] (Homo sapiens (Human))	BDBM422928 ((4R)-4-(1-Methylethyl)-3-{6-[(3S,5S,7S)-tricyclo[3...) Show SMILES CC(C)[C@@H]1COC(=O)N1c1ccc2Nc3ncccc3CN(C(=O)[C@]34C[C@H]5C[C@H](C[C@H](C5)C3)C4)c2n1 |r,TLB:32:24:29.30.31:27,THB:25:26:29:33.24.32,25:24:29:26.31.27,22:24:29.30.31:27| Show InChI InChI=1S/C28H33N5O3/c1-16(2)22-15-36-27(35)33(22)23-6-5-21-25(31-23)32(14-20-4-3-7-29-24(20)30-21)26(34)28-11-17-8-18(12-28)10-19(9-17)13-28/h3-7,16-19,22H,8-15H2,1-2H3,(H,29,30)/t17-,18+,19-,22-,28-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Each test compound (10 mM stock in DMSO) is diluted in DMSO to make a 10-point, 3-fold dilution series. 125 nL of each dilution or DMSO alone is disp...				US Patent US10508108 (2019) BindingDB Entry DOI: 10.7270/Q2N018X9
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