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BDBM50186362 3-(5-(4-(piperidin-1-yl)piperidin-1-yl)-1H-benzo[d]imidazol-2-yl)-N-(thiazol-2-ylmethyl)-1H-indazol-5-amine::CHEMBL376945

SMILES: C(Nc1ccc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCC(CC3)N3CCCCC3)c2c1)c1nccs1

InChI Key: InChIKey=QMUJWFWCDUXRJK-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50186362   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bcr-Abl


(Homo sapiens (Human))
BDBM50186362
PNG
(3-(5-(4-(piperidin-1-yl)piperidin-1-yl)-1H-benzo[d...)
Show SMILES C(Nc1ccc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCC(CC3)N3CCCCC3)c2c1)c1nccs1
Show InChI InChI=1S/C28H32N8S/c1-2-11-35(12-3-1)20-8-13-36(14-9-20)21-5-7-24-25(17-21)32-28(31-24)27-22-16-19(4-6-23(22)33-34-27)30-18-26-29-10-15-37-26/h4-7,10,15-17,20,30H,1-3,8-9,11-14,18H2,(H,31,32)(H,33,34)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 10n/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Antiproliferative activity against K562 cells expressing Bcr-Abl


Bioorg Med Chem Lett 16: 3789-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.043
BindingDB Entry DOI: 10.7270/Q2HD7WG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50186362
PNG
(3-(5-(4-(piperidin-1-yl)piperidin-1-yl)-1H-benzo[d...)
Show SMILES C(Nc1ccc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCC(CC3)N3CCCCC3)c2c1)c1nccs1
Show InChI InChI=1S/C28H32N8S/c1-2-11-35(12-3-1)20-8-13-36(14-9-20)21-5-7-24-25(17-21)32-28(31-24)27-22-16-19(4-6-23(22)33-34-27)30-18-26-29-10-15-37-26/h4-7,10,15-17,20,30H,1-3,8-9,11-14,18H2,(H,31,32)(H,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Inhibition of c-ABL


Bioorg Med Chem Lett 16: 3789-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.043
BindingDB Entry DOI: 10.7270/Q2HD7WG3
More data for this
Ligand-Target Pair