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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 = 'BDBM326068'   
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))
BDBM326068
PNG
(3-[(3R)-1- (cyclobutylcarbonyl) piperidin-3-yl]-1-...)
Show SMILES Nc1nccc2c(nn(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C1CCC1
Show InChI InChI=1S/C28H29N5O2/c29-27-26-24(15-16-30-27)25(20-8-5-17-32(18-20)28(34)19-6-4-7-19)31-33(26)21-11-13-23(14-12-21)35-22-9-2-1-3-10-22/h1-3,9-16,19-20H,4-8,17-18H2,(H2,29,30)/t20-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 3.5n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
In this assay, the potency (IC50) of each compound was determined from an eleven point (1:3 serial dilution; final compound concentration range in as...


US Patent US9637486 (2017)

More data for this
Ligand-Target Pair