BindingDB logo
myBDB logout

null

SMILES: COc1cc(ccc1Nc1nc(OC2CCCC2)c2c(c[nH]c2n1)-c1ccc2nc(C)oc2c1)C(=O)NC1CN(C)C1

InChI Key: InChIKey=AFIVIGSQZUJFLX-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 = 317478   
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))		BDBM317478
PNG
(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)
Show SMILES COc1cc(ccc1Nc1nc(OC2CCCC2)c2c(c[nH]c2n1)-c1ccc2nc(C)oc2c1)C(=O)NC1CN(C)C1
Show InChI InChI=1S/C31H33N7O4/c1-17-33-24-10-8-18(12-26(24)41-17)22-14-32-28-27(22)30(42-21-6-4-5-7-21)37-31(36-28)35-23-11-9-19(13-25(23)40-3)29(39)34-20-15-38(2)16-20/h8-14,20-21H,4-7,15-16H2,1-3H3,(H,34,39)(H2,32,35,36,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.54n/an/an/an/an/an/a



Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...

US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair