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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 = 'BDBM350157'   
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))
BDBM350157
PNG
((3-endo,8-syn)-3-[8-amino- 1-(4-{(1R)-1-hydroxy-1-...)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2C[C@@H]3CC[C@H](C2)[C@@H]3C(O)=O)n2ccnc(N)c12)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C30H29F3N4O3/c1-29(40,21-3-2-4-22(15-21)30(31,32)33)20-9-7-16(8-10-20)24-25-26(34)35-11-12-37(25)27(36-24)19-13-17-5-6-18(14-19)23(17)28(38)39/h2-4,7-12,15,17-19,23,40H,5-6,13-14H2,1H3,(H2,34,35)(H,38,39)/t17-,18+,19+,23+,29-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 39.9n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US10208047 (2019)


Article DOI: 10.1021/jm060199b
BindingDB Entry DOI: 10.7270/Q2M32XWT
More data for this
Ligand-Target Pair