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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50503095   
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 CSK


(Homo sapiens (Human))
BDBM50503095
PNG
(CHEMBL4577049)
Show SMILES Cc1cc(NC(=O)c2nn(C3CCN(CC3)C(=O)NC(C)(C)C)c3ccccc23)ccc1NC(=O)c1cnn2ccccc12
Show InChI InChI=1S/C33H36N8O3/c1-21-19-22(12-13-26(21)36-30(42)25-20-34-40-16-8-7-10-27(25)40)35-31(43)29-24-9-5-6-11-28(24)41(38-29)23-14-17-39(18-15-23)32(44)37-33(2,3)4/h5-13,16,19-20,23H,14-15,17-18H2,1-4H3,(H,35,43)(H,36,42)(H,37,44)
PDB
MMDB

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n/an/a<3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of His-tagged/GST-tagged CSK (unknown origin) incubated for 1 hr by TR-FRET assay


ACS Med Chem Lett 10: 1486-1491 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00354
BindingDB Entry DOI: 10.7270/Q25142G4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase CSK


(Homo sapiens (Human))
BDBM50503095
PNG
(CHEMBL4577049)
Show SMILES Cc1cc(NC(=O)c2nn(C3CCN(CC3)C(=O)NC(C)(C)C)c3ccccc23)ccc1NC(=O)c1cnn2ccccc12
Show InChI InChI=1S/C33H36N8O3/c1-21-19-22(12-13-26(21)36-30(42)25-20-34-40-16-8-7-10-27(25)40)35-31(43)29-24-9-5-6-11-28(24)41(38-29)23-14-17-39(18-15-23)32(44)37-33(2,3)4/h5-13,16,19-20,23H,14-15,17-18H2,1-4H3,(H,35,43)(H,36,42)(H,37,44)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of CSK (unknown origin) using fluorescent labeled peptide as substrate in presence of ATP at Km concentration by caliper method


ACS Med Chem Lett 10: 1486-1491 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00354
BindingDB Entry DOI: 10.7270/Q25142G4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50503095
PNG
(CHEMBL4577049)
Show SMILES Cc1cc(NC(=O)c2nn(C3CCN(CC3)C(=O)NC(C)(C)C)c3ccccc23)ccc1NC(=O)c1cnn2ccccc12
Show InChI InChI=1S/C33H36N8O3/c1-21-19-22(12-13-26(21)36-30(42)25-20-34-40-16-8-7-10-27(25)40)35-31(43)29-24-9-5-6-11-28(24)41(38-29)23-14-17-39(18-15-23)32(44)37-33(2,3)4/h5-13,16,19-20,23H,14-15,17-18H2,1-4H3,(H,35,43)(H,36,42)(H,37,44)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of His-tagged/GST-tagged LCK (unknown origin) incubated for 1 hr by TR-FRET assay


ACS Med Chem Lett 10: 1486-1491 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00354
BindingDB Entry DOI: 10.7270/Q25142G4
More data for this
Ligand-Target Pair