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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 = 'BDBM50311944'   
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))
BDBM50311944
PNG
(CHEMBL1076466 | N-(3-(1-(6-(4-aminobutylamino)pyri...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(NCCCCN)ncn1
Show InChI InChI=1S/C30H29F3N8O/c1-19-11-12-22(38-28(42)20-7-6-8-21(15-20)30(31,32)33)16-24(19)40-29-39-23-9-2-3-10-25(23)41(29)27-17-26(36-18-37-27)35-14-5-4-13-34/h2-3,6-12,15-18H,4-5,13-14,34H2,1H3,(H,38,42)(H,39,40)(H,35,36,37)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of LCK


Bioorg Med Chem Lett 19: 6691-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.123
BindingDB Entry DOI: 10.7270/Q2Q52PRR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50311944
PNG
(CHEMBL1076466 | N-(3-(1-(6-(4-aminobutylamino)pyri...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(NCCCCN)ncn1
Show InChI InChI=1S/C30H29F3N8O/c1-19-11-12-22(38-28(42)20-7-6-8-21(15-20)30(31,32)33)16-24(19)40-29-39-23-9-2-3-10-25(23)41(29)27-17-26(36-18-37-27)35-14-5-4-13-34/h2-3,6-12,15-18H,4-5,13-14,34H2,1H3,(H,38,42)(H,39,40)(H,35,36,37)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 366n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused LCK expressed in mouse BAF3 cells


Bioorg Med Chem Lett 19: 6691-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.123
BindingDB Entry DOI: 10.7270/Q2Q52PRR
More data for this
Ligand-Target Pair