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SMILES: COc1cc(CCNC[C@H]2CN(CCO2)C(=O)C2CC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N

InChI Key: InChIKey=RYDRBWBCEGEWIS-SFHVURJKSA-N

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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 = 323151   
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))		BDBM323151
PNG
(US9630931, Example 14)
Show SMILES COc1cc(CCNC[C@H]2CN(CCO2)C(=O)C2CC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N |r|
Show InChI InChI=1S/C24H28ClN7O4/c1-35-21-8-16(4-5-27-12-18-14-32(6-7-36-18)23(33)15-2-3-15)19(25)9-20(21)30-24(34)31-22-13-28-17(10-26)11-29-22/h8-9,11,13,15,18,27H,2-7,12,14H2,1H3,(H2,29,30,31,34)/t18-/m0/s1
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MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.400n/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)


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