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SMILES: CCN(CC)CCn1c(I)c(Cl)c2c(Cl)cc(nc12)C(N)=O

InChI Key: InChIKey=GHHXRRBAWPYQTC-UHFFFAOYSA-N

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 3 hits for monomerid = 50261853   
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-2


(Homo sapiens (Human))
BDBM50261853
PNG
(CHEMBL4102030)
Show SMILES CCN(CC)CCn1c(I)c(Cl)c2c(Cl)cc(nc12)C(N)=O
Show InChI InChI=1S/C14H17Cl2IN4O/c1-3-20(4-2)5-6-21-12(17)11(16)10-8(15)7-9(13(18)22)19-14(10)21/h7H,3-6H2,1-2H3,(H2,18,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.41E+3n/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
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50261853
PNG
(CHEMBL4102030)
Show SMILES CCN(CC)CCn1c(I)c(Cl)c2c(Cl)cc(nc12)C(N)=O
Show InChI InChI=1S/C14H17Cl2IN4O/c1-3-20(4-2)5-6-21-12(17)11(16)10-8(15)7-9(13(18)22)19-14(10)21/h7H,3-6H2,1-2H3,(H2,18,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 125n/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 Mycobacterium tuberculosis H37RV InhA


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-3


(Homo sapiens (Human))
BDBM50261853
PNG
(CHEMBL4102030)
Show SMILES CCN(CC)CCn1c(I)c(Cl)c2c(Cl)cc(nc12)C(N)=O
Show InChI InChI=1S/C14H17Cl2IN4O/c1-3-20(4-2)5-6-21-12(17)11(16)10-8(15)7-9(13(18)22)19-14(10)21/h7H,3-6H2,1-2H3,(H2,18,22)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 480n/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 PIM3 (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