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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 = 'BDBM191623'   
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))
BDBM191623
PNG
(US9181263, 19 | US9278100, 19)
Show SMILES CN(CCn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12)C(=O)C=C
Show InChI InChI=1S/C23H22N6O2/c1-3-19(30)28(2)13-14-29-23-20(22(24)25-15-26-23)21(27-29)16-9-11-18(12-10-16)31-17-7-5-4-6-8-17/h3-12,15H,1,13-14H2,2H3,(H2,24,25,26)
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.58n/an/an/an/an/an/a



Pharmacyclics LLC

US Patent


Assay Description
IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 uM ATP.). Reaction condition...


US Patent US9278100 (2016)


BindingDB Entry DOI: 10.7270/Q20C4TMX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM191623
PNG
(US9181263, 19 | US9278100, 19)
Show SMILES CN(CCn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12)C(=O)C=C
Show InChI InChI=1S/C23H22N6O2/c1-3-19(30)28(2)13-14-29-23-20(22(24)25-15-26-23)21(27-29)16-9-11-18(12-10-16)31-17-7-5-4-6-8-17/h3-12,15H,1,13-14H2,2H3,(H2,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.58n/an/an/an/an/an/a



PHARMACYCLICS LLC

US Patent


Assay Description
IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 μM ATP.). For enzyme in...


US Patent US9181263 (2015)


BindingDB Entry DOI: 10.7270/Q2765D5Z
More data for this
Ligand-Target Pair