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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase Lck' and Ligand = 'BDBM191612'   
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 Lck


(Homo sapiens (Human))
BDBM191612
PNG
(US9181263, 7 | US9278100, 7)
Show SMILES CN(C)C\C=C\C(=O)N1CCC(CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C28H31N7O2/c1-33(2)16-6-9-24(36)34-17-14-21(15-18-34)35-28-25(27(29)30-19-31-28)26(32-35)20-10-12-23(13-11-20)37-22-7-4-3-5-8-22/h3-13,19,21H,14-18H2,1-2H3,(H2,29,30,31)/b9-6+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.60n/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 Lck


(Homo sapiens (Human))
BDBM191612
PNG
(US9181263, 7 | US9278100, 7)
Show SMILES CN(C)C\C=C\C(=O)N1CCC(CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C28H31N7O2/c1-33(2)16-6-9-24(36)34-17-14-21(15-18-34)35-28-25(27(29)30-19-31-28)26(32-35)20-10-12-23(13-11-20)37-22-7-4-3-5-8-22/h3-13,19,21H,14-18H2,1-2H3,(H2,29,30,31)/b9-6+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.60n/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