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BDBM50445130 CHEMBL3103859

SMILES: N[C@H]1CCCN(C1)c1ccncc1NC(=O)c1nc(Oc2ccccc2)ccc1N

InChI Key: InChIKey=ITEIREYZTCHMHP-HNNXBMFYSA-N

Data: 3 KI

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 = 50445130   
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))
BDBM50445130
PNG
(CHEMBL3103859)
Show SMILES N[C@H]1CCCN(C1)c1ccncc1NC(=O)c1nc(Oc2ccccc2)ccc1N |r|
Show InChI InChI=1S/C22H24N6O2/c23-15-5-4-12-28(14-15)19-10-11-25-13-18(19)26-22(29)21-17(24)8-9-20(27-21)30-16-6-2-1-3-7-16/h1-3,6-11,13,15H,4-5,12,14,23-24H2,(H,26,29)/t15-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin)


ACS Med Chem Lett 4: 1193-7 (2013)


Article DOI: 10.1021/ml400307j
BindingDB Entry DOI: 10.7270/Q23X8840
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50445130
PNG
(CHEMBL3103859)
Show SMILES N[C@H]1CCCN(C1)c1ccncc1NC(=O)c1nc(Oc2ccccc2)ccc1N |r|
Show InChI InChI=1S/C22H24N6O2/c23-15-5-4-12-28(14-15)19-10-11-25-13-18(19)26-22(29)21-17(24)8-9-20(27-21)30-16-6-2-1-3-7-16/h1-3,6-11,13,15H,4-5,12,14,23-24H2,(H,26,29)/t15-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
15n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin)


ACS Med Chem Lett 4: 1193-7 (2013)


Article DOI: 10.1021/ml400307j
BindingDB Entry DOI: 10.7270/Q23X8840
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50445130
PNG
(CHEMBL3103859)
Show SMILES N[C@H]1CCCN(C1)c1ccncc1NC(=O)c1nc(Oc2ccccc2)ccc1N |r|
Show InChI InChI=1S/C22H24N6O2/c23-15-5-4-12-28(14-15)19-10-11-25-13-18(19)26-22(29)21-17(24)8-9-20(27-21)30-16-6-2-1-3-7-16/h1-3,6-11,13,15H,4-5,12,14,23-24H2,(H,26,29)/t15-/m0/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
122n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM2 (unknown origin)


ACS Med Chem Lett 4: 1193-7 (2013)


Article DOI: 10.1021/ml400307j
BindingDB Entry DOI: 10.7270/Q23X8840
More data for this
Ligand-Target Pair