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Compile Data Set for Download or QSAR

Found 2 hits of ec50 for monomerid = 50530304   
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 ABL1


(Homo sapiens (Human))
BDBM50530304
PNG
(CHEMBL4445989)
Show SMILES C[C@H]1CN(N=C1NC(=O)c1cncnc1)c1ccc(Cl)c(Cl)c1 |r,c:4|
Show InChI InChI=1S/C15H13Cl2N5O/c1-9-7-22(11-2-3-12(16)13(17)4-11)21-14(9)20-15(23)10-5-18-8-19-6-10/h2-6,8-9H,7H2,1H3,(H,20,21,23)/t9-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 100n/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis


J Med Chem 62: 2154-2171 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01872
BindingDB Entry DOI: 10.7270/Q2X92FR3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50530304
PNG
(CHEMBL4445989)
Show SMILES C[C@H]1CN(N=C1NC(=O)c1cncnc1)c1ccc(Cl)c(Cl)c1 |r,c:4|
Show InChI InChI=1S/C15H13Cl2N5O/c1-9-7-22(11-2-3-12(16)13(17)4-11)21-14(9)20-15(23)10-5-18-8-19-6-10/h2-6,8-9H,7H2,1H3,(H,20,21,23)/t9-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 100n/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis


J Med Chem 62: 2154-2171 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01872
BindingDB Entry DOI: 10.7270/Q2X92FR3
More data for this
Ligand-Target Pair