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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 = 'BDBM267512'   
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))
BDBM267512
PNG
(4-(8-amino-3-((cis)-4-methoxycyclohexyl)imidazo [1...)
Show SMILES CO[C@H]1CC[C@H](CC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)[N+]#[C-])c2c(N)nccn12 |r,wU:5.8,2.1,(-.11,-11.06,;.98,-9.97,;.58,-8.48,;-.91,-8.09,;-1.31,-6.6,;-.22,-5.51,;1.27,-5.91,;1.67,-7.4,;-.62,-4.02,;.29,-2.78,;-.62,-1.53,;-.22,-.04,;1.27,.36,;1.67,1.84,;.58,2.93,;-.91,2.53,;-1.31,1.05,;.98,4.42,;-.11,5.51,;2.46,4.82,;2.86,6.31,;1.77,7.4,;2.13,8.97,;3.66,9.28,;4.75,8.19,;4.35,6.7,;1.05,10.07,;-.02,11.17,;-2.08,-2.01,;-3.42,-1.24,;-3.42,.3,;-4.75,-2.01,;-4.75,-3.55,;-3.42,-4.32,;-2.08,-3.55,)|
Show InChI InChI=1S/C26H25N7O2/c1-28-19-11-12-29-21(15-19)31-26(34)18-5-3-16(4-6-18)22-23-24(27)30-13-14-33(23)25(32-22)17-7-9-20(35-2)10-8-17/h3-6,11-15,17,20H,7-10H2,2H3,(H2,27,30)(H,29,31,34)/t17-,20+
PDB
MMDB

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PC cid
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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