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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 = 'BDBM325929'   
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))
BDBM325929
PNG
(3-[(3R)-1- (cyclopropylcarbonyl) piperidin-3-yl]-1...)
Show SMILES Nc1nccc2c(nn(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C1CC1
Show InChI InChI=1S/C27H27N5O2/c28-26-25-23(14-15-29-26)24(19-5-4-16-31(17-19)27(33)18-8-9-18)30-32(25)20-10-12-22(13-11-20)34-21-6-2-1-3-7-21/h1-3,6-7,10-15,18-19H,4-5,8-9,16-17H2,(H2,28,29)/t19-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a 3.30n/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