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SMILES: Cn1cc(cn1)-c1cc2c(n[nH]c2cn1)-c1cccc(c1)N1CCC[C@@H](N)C1

InChI Key: InChIKey=UKAGZEMTXTYYHX-MRXNPFEDSA-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 4 hits for monomerid = 50131267   
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-3


(Homo sapiens (Human))
BDBM50131267
PNG
(CHEMBL3634759 | US9260425, 222)
Show SMILES Cn1cc(cn1)-c1cc2c(n[nH]c2cn1)-c1cccc(c1)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C21H23N7/c1-27-12-15(10-24-27)19-9-18-20(11-23-19)25-26-21(18)14-4-2-6-17(8-14)28-7-3-5-16(22)13-28/h2,4,6,8-12,16H,3,5,7,13,22H2,1H3,(H,25,26)/t16-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.290n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of Pim3 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins


Bioorg Med Chem Lett 25: 5258-64 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.052
BindingDB Entry DOI: 10.7270/Q2TT4SR7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50131267
PNG
(CHEMBL3634759 | US9260425, 222)
Show SMILES Cn1cc(cn1)-c1cc2c(n[nH]c2cn1)-c1cccc(c1)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C21H23N7/c1-27-12-15(10-24-27)19-9-18-20(11-23-19)25-26-21(18)14-4-2-6-17(8-14)28-7-3-5-16(22)13-28/h2,4,6,8-12,16H,3,5,7,13,22H2,1H3,(H,25,26)/t16-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
0.387n/an/an/an/an/an/a7.2n/a



Genetech, Inc.

US Patent


Assay Description
PIM-1, PIM-2, and PIM-3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Chiu, J....


US Patent US9260425 (2016)


BindingDB Entry DOI: 10.7270/Q2RR1X3X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50131267
PNG
(CHEMBL3634759 | US9260425, 222)
Show SMILES Cn1cc(cn1)-c1cc2c(n[nH]c2cn1)-c1cccc(c1)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C21H23N7/c1-27-12-15(10-24-27)19-9-18-20(11-23-19)25-26-21(18)14-4-2-6-17(8-14)28-7-3-5-16(22)13-28/h2,4,6,8-12,16H,3,5,7,13,22H2,1H3,(H,25,26)/t16-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.390n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins


Bioorg Med Chem Lett 25: 5258-64 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.052
BindingDB Entry DOI: 10.7270/Q2TT4SR7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50131267
PNG
(CHEMBL3634759 | US9260425, 222)
Show SMILES Cn1cc(cn1)-c1cc2c(n[nH]c2cn1)-c1cccc(c1)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C21H23N7/c1-27-12-15(10-24-27)19-9-18-20(11-23-19)25-26-21(18)14-4-2-6-17(8-14)28-7-3-5-16(22)13-28/h2,4,6,8-12,16H,3,5,7,13,22H2,1H3,(H,25,26)/t16-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.30n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of Pim2 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins


Bioorg Med Chem Lett 25: 5258-64 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.052
BindingDB Entry DOI: 10.7270/Q2TT4SR7
More data for this
Ligand-Target Pair