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SMILES: CCc1cccc(CC)c1NC(=O)c1c2CCCc3cnc(Nc4ccc(cc4OC)N4CCN(C)CC4)nc3-c2nn1C

InChI Key: InChIKey=NGSWZHUXTMIEEP-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 141335   
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))		BDBM141335
PNG
(US8916577, 97)
Show SMILES CCc1cccc(CC)c1NC(=O)c1c2CCCc3cnc(Nc4ccc(cc4OC)N4CCN(C)CC4)nc3-c2nn1C
Show InChI InChI=1S/C34H42N8O2/c1-6-22-10-8-11-23(7-2)29(22)37-33(43)32-26-13-9-12-24-21-35-34(38-30(24)31(26)39-41(32)4)36-27-15-14-25(20-28(27)44-5)42-18-16-40(3)17-19-42/h8,10-11,14-15,20-21H,6-7,9,12-13,16-19H2,1-5H3,(H,37,43)(H,35,36,38)
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KEGG

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Similars
US Patent
n/an/a 853n/an/an/an/a3.0n/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...

US Patent US8916577 (2014)


BindingDB Entry DOI: 10.7270/Q25719RJ
More data for this
Ligand-Target Pair