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SMILES: CCOc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)C(=O)N1CC2(COC2)C1

InChI Key: InChIKey=NOUCKYBHBJEXLH-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 228287   
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
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM228287
PNG
(US9555022, Example 02.23)
Show SMILES CCOc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)C(=O)N1CC2(COC2)C1
Show InChI InChI=1S/C34H31FN6O4/c1-2-45-29-16-24(32(43)40-18-34(19-40)20-44-21-34)7-13-28(29)37-33-38-30-14-8-25(17-41(30)39-33)23-5-11-27(12-6-23)36-31(42)15-22-3-9-26(35)10-4-22/h3-14,16-17H,2,15,18-21H2,1H3,(H,36,42)(H,37,39)
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KEGG

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PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/a7.7n/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...

US Patent US9555022 (2017)


BindingDB Entry DOI: 10.7270/Q25H7J86
More data for this
Ligand-Target Pair