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SMILES: CN(C)C\C=C\C(=O)N1CCC[C@H](C1)n1c(F)c(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c12

InChI Key: InChIKey=WKSYPRVFJQUJOR-WUTDNEBXSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 390069   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM390069
PNG
(US10323037, Example 82 | US9951077, 82)
Show SMILES CN(C)C\C=C\C(=O)N1CCC[C@H](C1)n1c(F)c(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c12
Show InChI InChI=1S/C29H31FN6O3/c1-34(2)16-7-11-23(37)35-17-6-8-20(18-35)36-26-25(28(31)32-33-29(26)38)24(27(36)30)19-12-14-22(15-13-19)39-21-9-4-3-5-10-21/h3-5,7,9-15,20H,6,8,16-18H2,1-2H3,(H2,31,32)(H,33,38)/b11-7+/t20-/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<10n/an/an/an/an/an/a



JIANGSU HENGRUI MEDICINE CO., LTD.

US Patent


Assay Description
The Btk kinase assay was performed using a ADP-Glo Btk kinase assay kit purchased from Promega (Madison, Wis.). The assay was conducted according to ...


US Patent US10323037 (2019)


BindingDB Entry DOI: 10.7270/Q2W098BW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM390069
PNG
(US10323037, Example 82 | US9951077, 82)
Show SMILES CN(C)C\C=C\C(=O)N1CCC[C@H](C1)n1c(F)c(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c12
Show InChI InChI=1S/C29H31FN6O3/c1-34(2)16-7-11-23(37)35-17-6-8-20(18-35)36-26-25(28(31)32-33-29(26)38)24(27(36)30)19-12-14-22(15-13-19)39-21-9-4-3-5-10-21/h3-5,7,9-15,20H,6,8,16-18H2,1-2H3,(H2,31,32)(H,33,38)/b11-7+/t20-/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<10n/an/an/an/an/an/a



GSK



Assay Description
The Btk kinase assay was performed using a ADP-Glo Btk kinase assay kit purchased from Promega (Madison, Wis.). The assay was conducted according to ...


Bioorg Med Chem Lett 17: 3972-7 (2007)


BindingDB Entry DOI: 10.7270/Q2MG7RV0
More data for this
Ligand-Target Pair