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BDBM50261860 CHEMBL4101554

SMILES: NC(=O)c1cc(Cl)c2c(Cl)c(C3=CCOCC3)n(C3CCCNC3)c2n1

InChI Key: InChIKey=PTCDBDLJIWEHCS-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50261860   
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
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50261860
PNG
(CHEMBL4101554)
Show SMILES NC(=O)c1cc(Cl)c2c(Cl)c(C3=CCOCC3)n(C3CCCNC3)c2n1 |t:11|
Show InChI InChI=1S/C18H20Cl2N4O2/c19-12-8-13(17(21)25)23-18-14(12)15(20)16(10-3-6-26-7-4-10)24(18)11-2-1-5-22-9-11/h3,8,11,22H,1-2,4-7,9H2,(H2,21,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 103n/an/an/an/an/an/a



IDD Medicinal Chemistry, Sanofi Genzyme, 153 Second Avenue, Waltham, MA 02451, USA. Electronic address: claude.barberis2@sanofi.com.

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin) assessed as reduction in BAD phosphorylation at Ser112 residues by TR-FRET assay


Bioorg Med Chem Lett 27: 4735-4740 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.068
BindingDB Entry DOI: 10.7270/Q2NG4T34
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50261860
PNG
(CHEMBL4101554)
Show SMILES NC(=O)c1cc(Cl)c2c(Cl)c(C3=CCOCC3)n(C3CCCNC3)c2n1 |t:11|
Show InChI InChI=1S/C18H20Cl2N4O2/c19-12-8-13(17(21)25)23-18-14(12)15(20)16(10-3-6-26-7-4-10)24(18)11-2-1-5-22-9-11/h3,8,11,22H,1-2,4-7,9H2,(H2,21,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 179n/an/an/an/an/an/a



IDD Medicinal Chemistry, Sanofi Genzyme, 153 Second Avenue, Waltham, MA 02451, USA. Electronic address: claude.barberis2@sanofi.com.

Curated by ChEMBL


Assay Description
Inhibition of PIM2 (unknown origin) assessed as reduction in BAD phosphorylation at Ser112 residues by TR-FRET assay


Bioorg Med Chem Lett 27: 4735-4740 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.068
BindingDB Entry DOI: 10.7270/Q2NG4T34
More data for this
Ligand-Target Pair