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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 = 'BDBM390012'   
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))
BDBM390012
PNG
(4-amino-1-[(3R)-1-[(E)-4- (dimethylamino)but-2-eno...)
Show SMILES CN(C)C\C=C\C(=O)N1CCC[C@H](C1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c12
Show InChI InChI=1S/C29H32N6O3/c1-33(2)16-7-11-25(36)34-17-6-8-21(18-34)35-19-24(26-27(35)29(37)32-31-28(26)30)20-12-14-23(15-13-20)38-22-9-4-3-5-10-22/h3-5,7,9-15,19,21H,6,8,16-18H2,1-2H3,(H2,30,31)(H,32,37)/b11-7+/t21-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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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))
BDBM390012
PNG
(4-amino-1-[(3R)-1-[(E)-4- (dimethylamino)but-2-eno...)
Show SMILES CN(C)C\C=C\C(=O)N1CCC[C@H](C1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c12
Show InChI InChI=1S/C29H32N6O3/c1-33(2)16-7-11-25(36)34-17-6-8-21(18-34)35-19-24(26-27(35)29(37)32-31-28(26)30)20-12-14-23(15-13-20)38-22-9-4-3-5-10-22/h3-5,7,9-15,19,21H,6,8,16-18H2,1-2H3,(H2,30,31)(H,32,37)/b11-7+/t21-/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