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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM236675'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM236675
PNG
(US9388140, 16)
Show SMILES Cc1ccc(F)cc1Oc1cc(NCC2CCOCC2)c2ncn(-c3ccc(C(=O)NC4CC4)c(C)c3)c2c1
Show InChI InChI=1S/C31H33FN4O3/c1-19-3-4-22(32)14-29(19)39-25-15-27(33-17-21-9-11-38-12-10-21)30-28(16-25)36(18-34-30)24-7-8-26(20(2)13-24)31(37)35-23-5-6-23/h3-4,7-8,13-16,18,21,23,33H,5-6,9-12,17H2,1-2H3,(H,35,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.600n/an/an/an/a7.722



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 US9388140 (2016)


BindingDB Entry DOI: 10.7270/Q2BP01QF
More data for this
Ligand-Target Pair