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BDBM323148 US9630931, Example 11

SMILES: COc1cc(CCN[C@@H](C)C2CCN(CC2)S(C)(=O)=O)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N

InChI Key: InChIKey=OKGVVUKWJXNKCR-GGYSOQFKNA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 323148   
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
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM323148
PNG
(US9630931, Example 11)
Show SMILES COc1cc(CCN[C@@H](C)C2CCN(CC2)S(C)(=O)=O)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1/C23H30ClN7O4S/c1-15(16-5-8-31(9-6-16)36(3,33)34)26-7-4-17-10-21(35-2)20(11-19(17)24)29-23(32)30-22-14-27-18(12-25)13-28-22/h10-11,13-16,26H,4-9H2,1-3H3,(H2,28,29,30,32)/t15-/s2
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 0.280n/an/an/an/an/an/a



SENTINEL ONCOLOGY LIMITED

US Patent


Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)


Article DOI: 10.1021/jm9000488
BindingDB Entry DOI: 10.7270/Q29C70J1
More data for this
Ligand-Target Pair