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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM267513'   
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
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM267513
PNG
(4-(8-amino-3-((cis)-4-methoxycyclohexyl)imidazo [1...)
Show SMILES CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@@H](CC3)OC)n3ccnc(N)c23)c1 |r,wU:20.20,23.27,(-1.49,10.86,;-.4,9.77,;1.08,10.17,;2.17,9.08,;3.66,9.48,;4.75,8.39,;4.35,6.9,;2.86,6.51,;2.46,5.02,;.98,4.62,;-.11,5.71,;.58,3.13,;1.67,2.04,;1.27,.56,;-.22,.16,;-1.31,1.25,;-.91,2.73,;-.62,-1.33,;.29,-2.58,;-.62,-3.82,;-.22,-5.31,;-1.31,-6.4,;-.91,-7.89,;.58,-8.29,;1.67,-7.2,;1.27,-5.71,;.98,-9.77,;-.11,-10.86,;-2.08,-3.35,;-3.42,-4.12,;-4.75,-3.35,;-4.75,-1.81,;-3.42,-1.04,;-3.42,.5,;-2.08,-1.81,;1.77,7.59,)|
Show InChI InChI=1S/C28H32N6O2/c1-3-4-18-13-14-30-23(17-18)32-28(35)21-7-5-19(6-8-21)24-25-26(29)31-15-16-34(25)27(33-24)20-9-11-22(36-2)12-10-20/h5-8,13-17,20,22H,3-4,9-12H2,1-2H3,(H2,29,31)(H,30,32,35)/t20-,22+
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a<10n/an/a7.225



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)


BindingDB Entry DOI: 10.7270/Q2H9977T
More data for this
Ligand-Target Pair