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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50131214   
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
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50131214
PNG
(CHEMBL3634530)
Show SMILES Nc1n[nH]c2cccc(-c3ccc(cc3)C(=O)N3CCN(CC3)C(=O)c3ccccc3Br)c12
Show InChI InChI=1S/C25H22BrN5O2/c26-20-6-2-1-4-19(20)25(33)31-14-12-30(13-15-31)24(32)17-10-8-16(9-11-17)18-5-3-7-21-22(18)23(27)29-28-21/h1-11H,12-15H2,(H3,27,28,29)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 180n/an/an/an/an/an/a



First Affiliated Hospital of Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibitory concentration against interleukin-2 binding


Eur J Med Chem 104: 139-47 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.034
BindingDB Entry DOI: 10.7270/Q23B61Z7
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50131214
PNG
(CHEMBL3634530)
Show SMILES Nc1n[nH]c2cccc(-c3ccc(cc3)C(=O)N3CCN(CC3)C(=O)c3ccccc3Br)c12
Show InChI InChI=1S/C25H22BrN5O2/c26-20-6-2-1-4-19(20)25(33)31-14-12-30(13-15-31)24(32)17-10-8-16(9-11-17)18-5-3-7-21-22(18)23(27)29-28-21/h1-11H,12-15H2,(H3,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 740n/an/an/an/an/an/a



First Affiliated Hospital of Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibitory concentration against interleukin-2 binding


Eur J Med Chem 104: 139-47 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.034
BindingDB Entry DOI: 10.7270/Q23B61Z7
More data for this
Ligand-Target Pair