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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM197225'   
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))
BDBM197225
PNG
(US9090621, 188 | US9572811, Example 188)
Show SMILES C[C@H](Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)NC(=O)C(=CC(C)(C)N)C#N |r,w:31.35|
Show InChI InChI=1S/C27H27FN8O2/c1-16(34-26(37)17(13-29)12-27(2,3)31)14-36-25-22(24(30)32-15-33-25)23(35-36)20-10-9-19(11-21(20)28)38-18-7-5-4-6-8-18/h4-12,15-16H,14,31H2,1-3H3,(H,34,37)(H2,30,32,33)/t16-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.700n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)


BindingDB Entry DOI: 10.7270/Q2QR505V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM197225
PNG
(US9090621, 188 | US9572811, Example 188)
Show SMILES C[C@H](Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)NC(=O)C(=CC(C)(C)N)C#N |r,w:31.35|
Show InChI InChI=1S/C27H27FN8O2/c1-16(34-26(37)17(13-29)12-27(2,3)31)14-36-25-22(24(30)32-15-33-25)23(35-36)20-10-9-19(11-21(20)28)38-18-7-5-4-6-8-18/h4-12,15-16H,14,31H2,1-3H3,(H,34,37)(H2,30,32,33)/t16-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.700n/an/an/an/an/a25



Principia Biopharma Inc.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9090621 (2015)


BindingDB Entry DOI: 10.7270/Q27M06QW
More data for this
Ligand-Target Pair