Found 2 hits Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic' and Ligand = 'BDBM146173' 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)) | BDBM146173
(US8957068, 225)Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)NC3CCC(CC3)OCC(F)(F)F)c(F)c2)n1 |r,wU:15.16,wD:3.2,(9.9,-1.54,;9.13,-.21,;7.59,-.21,;9.9,1.13,;11.44,1.13,;11.92,2.59,;10.67,3.5,;10.67,5.04,;9.42,2.59,;8.09,3.36,;8.09,4.9,;6.76,5.67,;5.42,4.9,;5.42,3.36,;4.09,2.59,;4.09,1.05,;5.42,.28,;2.76,.28,;2.76,-1.26,;1.42,-2.03,;.09,-1.26,;-1.25,-2.03,;-1.25,-3.57,;-2.58,-1.26,;-3.91,-2.03,;-5.25,-1.26,;-6.58,-2.03,;-6.58,-3.57,;-5.25,-4.34,;-3.91,-3.57,;-7.91,-4.34,;-9.25,-3.57,;-9.25,-2.03,;-9.25,-.49,;-7.71,-2.03,;-10.79,-2.03,;.09,.28,;-1.25,1.05,;1.42,1.05,;6.76,2.59,)| Show InChI InChI=1S/C27H33F4N5O4/c1-15(2)22-13-39-26(38)36(22)23-10-11-32-25(35-23)33-16(3)17-4-9-20(21(28)12-17)24(37)34-18-5-7-19(8-6-18)40-14-27(29,30)31/h4,9-12,15-16,18-19,22H,5-8,13-14H2,1-3H3,(H,34,37)(H,32,33,35)/t16-,18?,19?,22+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 17.3 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Novartis AG
US Patent
| Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+ (NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide ph... |
US Patent US8957068 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W28 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM146173
(US8957068, 225)Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)NC3CCC(CC3)OCC(F)(F)F)c(F)c2)n1 |r,wU:15.16,wD:3.2,(9.9,-1.54,;9.13,-.21,;7.59,-.21,;9.9,1.13,;11.44,1.13,;11.92,2.59,;10.67,3.5,;10.67,5.04,;9.42,2.59,;8.09,3.36,;8.09,4.9,;6.76,5.67,;5.42,4.9,;5.42,3.36,;4.09,2.59,;4.09,1.05,;5.42,.28,;2.76,.28,;2.76,-1.26,;1.42,-2.03,;.09,-1.26,;-1.25,-2.03,;-1.25,-3.57,;-2.58,-1.26,;-3.91,-2.03,;-5.25,-1.26,;-6.58,-2.03,;-6.58,-3.57,;-5.25,-4.34,;-3.91,-3.57,;-7.91,-4.34,;-9.25,-3.57,;-9.25,-2.03,;-9.25,-.49,;-7.71,-2.03,;-10.79,-2.03,;.09,.28,;-1.25,1.05,;1.42,1.05,;6.76,2.59,)| Show InChI InChI=1S/C27H33F4N5O4/c1-15(2)22-13-39-26(38)36(22)23-10-11-32-25(35-23)33-16(3)17-4-9-20(21(28)12-17)24(37)34-18-5-7-19(8-6-18)40-14-27(29,30)31/h4,9-12,15-16,18-19,22H,5-8,13-14H2,1-3H3,(H,34,37)(H,32,33,35)/t16-,18?,19?,22+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Novartis AG
US Patent
| Assay Description
Mutant IDH1 R132H catalytic activity was monitored using the quantitative liquid chromatography/mass spectrometry (LC-MS) detection of 2-HG, a produc... |
US Patent US8957068 (2015)
BindingDB Entry DOI: 10.7270/Q2TD9W28 |
More data for this
Ligand-Target Pair | |
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