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BDBM247632 US10112931, Example 234::US9434719, 234 as TFA salt::US9688672, Example 234

SMILES: C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2cnc(s2)-c2cccnc2)n1

InChI Key: InChIKey=GWNOCTRCIHVVOY-MLDCOLDMNA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 247632   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM247632
PNG
(US10112931, Example 234 | US9434719, 234 as TFA sa...)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2cnc(s2)-c2cccnc2)n1
Show InChI InChI=1/C19H19ClN6O3S/c1-10(14-8-22-17(30-14)12-4-3-5-21-7-12)23-18-24-15(20)6-16(25-18)26-13(11(2)27)9-29-19(26)28/h3-8,10-11,13,27H,9H2,1-2H3,(H,23,24,25)/t10-,11+,13+/s2
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 213n/an/an/an/a7.525



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 US9434719 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KFR
More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM247632
PNG
(US10112931, Example 234 | US9434719, 234 as TFA sa...)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2cnc(s2)-c2cccnc2)n1
Show InChI InChI=1/C19H19ClN6O3S/c1-10(14-8-22-17(30-14)12-4-3-5-21-7-12)23-18-24-15(20)6-16(25-18)26-13(11(2)27)9-29-19(26)28/h3-8,10-11,13,27H,9H2,1-2H3,(H,23,24,25)/t10-,11+,13+/s2
PDB

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 213n/an/an/an/a7.525



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 US10112931 (2018)


Article DOI: 10.1016/j.ab.2006.10.017
BindingDB Entry DOI: 10.7270/Q2PG1TRT
More data for this
Ligand-Target Pair
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H)


(Homo sapiens (Human))
BDBM247632
PNG
(US10112931, Example 234 | US9434719, 234 as TFA sa...)
Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2cnc(s2)-c2cccnc2)n1
Show InChI InChI=1/C19H19ClN6O3S/c1-10(14-8-22-17(30-14)12-4-3-5-21-7-12)23-18-24-15(20)6-16(25-18)26-13(11(2)27)9-29-19(26)28/h3-8,10-11,13,27H,9H2,1-2H3,(H,23,24,25)/t10-,11+,13+/s2
PDB

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 213n/an/an/an/a7.525



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 pho...


US Patent US9688672 (2017)


Article DOI: 10.1021/jm950888f
BindingDB Entry DOI: 10.7270/Q2251GBM
More data for this
Ligand-Target Pair