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BDBM50131278 CHEMBL3634760::US9260425, 433

SMILES: Cc1ccc(nc1N1CCC[C@H](N)C1)-c1n[nH]c2cnc(cc12)-c1cnn(C)c1

InChI Key: InChIKey=XWOSSDMMJDYDBX-GGYSOQFKNA-N

Data: 4 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 4 hits for monomerid = 50131278   
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))
BDBM50131278
PNG
(CHEMBL3634760 | US9260425, 433)
Show SMILES Cc1ccc(nc1N1CCC[C@H](N)C1)-c1n[nH]c2cnc(cc12)-c1cnn(C)c1
Show InChI InChI=1/C21H24N8/c1-13-5-6-17(25-21(13)29-7-3-4-15(22)12-29)20-16-8-18(14-9-24-28(2)11-14)23-10-19(16)26-27-20/h5-6,8-11,15H,3-4,7,12,22H2,1-2H3,(H,26,27)/t15-/s2
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.00600n/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))
BDBM50131278
PNG
(CHEMBL3634760 | US9260425, 433)
Show SMILES Cc1ccc(nc1N1CCC[C@H](N)C1)-c1n[nH]c2cnc(cc12)-c1cnn(C)c1
Show InChI InChI=1/C21H24N8/c1-13-5-6-17(25-21(13)29-7-3-4-15(22)12-29)20-16-8-18(14-9-24-28(2)11-14)23-10-19(16)26-27-20/h5-6,8-11,15H,3-4,7,12,22H2,1-2H3,(H,26,27)/t15-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
0.0130n/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))
BDBM50131278
PNG
(CHEMBL3634760 | US9260425, 433)
Show SMILES Cc1ccc(nc1N1CCC[C@H](N)C1)-c1n[nH]c2cnc(cc12)-c1cnn(C)c1
Show InChI InChI=1/C21H24N8/c1-13-5-6-17(25-21(13)29-7-3-4-15(22)12-29)20-16-8-18(14-9-24-28(2)11-14)23-10-19(16)26-27-20/h5-6,8-11,15H,3-4,7,12,22H2,1-2H3,(H,26,27)/t15-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0130n/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))
BDBM50131278
PNG
(CHEMBL3634760 | US9260425, 433)
Show SMILES Cc1ccc(nc1N1CCC[C@H](N)C1)-c1n[nH]c2cnc(cc12)-c1cnn(C)c1
Show InChI InChI=1/C21H24N8/c1-13-5-6-17(25-21(13)29-7-3-4-15(22)12-29)20-16-8-18(14-9-24-28(2)11-14)23-10-19(16)26-27-20/h5-6,8-11,15H,3-4,7,12,22H2,1-2H3,(H,26,27)/t15-/s2
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0880n/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