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SMILES: COc1cc(CCNCC2CNCCO2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N

InChI Key: InChIKey=WTZIDCPBBJAZMQ-UHFFFAOYSA-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 = 316493   
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))		BDBM316493
PNG
(US9630931, Example 2)
Show SMILES COc1cc(CCNCC2CNCCO2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N |$;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;$|
Show InChI InChI=1S/C20H24ClN7O3/c1-30-18-6-13(2-3-23-10-15-11-24-4-5-31-15)16(21)7-17(18)27-20(29)28-19-12-25-14(8-22)9-26-19/h6-7,9,12,15,23-24H,2-5,10-11H2,1H3,(H2,26,27,28,29)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.0900n/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