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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]' and Ligand = 'BDBM448758'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]


(Homo sapiens (Human))		BDBM448758
PNG
(4R)-3-[2-[[(1S)-1-[4-[2-Cyclopropyl-1-(4-prop-2-en...)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2)C(CC2CC2)N2CCN(CC2)C(=O)C=C)n1 |r,w:23.25|
Show InChI InChI=1S/C29H38N6O4/c1-4-27(37)34-15-13-33(14-16-34)24(17-21-5-6-21)23-9-7-22(8-10-23)19(2)31-28-30-12-11-26(32-28)35-25(20(3)36)18-39-29(35)38/h4,7-12,19-21,24-25,36H,1,5-6,13-18H2,2-3H3,(H,30,31,32)/t19-,20+,24?,25+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 18.2n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...

US Patent US10696665 (2020)


BindingDB Entry DOI: 10.7270/Q2ZK5KP2
More data for this
Ligand-Target Pair