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BDBM249034 US9434725, 265

SMILES: Cc1cncc(n1)-c1cc2n(ncc2cn1)-c1cccc(n1)C1CNCCC1O

InChI Key: InChIKey=NRWVKWOODSLDFZ-UHFFFAOYNA-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 = 249034   
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))
BDBM249034
PNG
(US9434725, 265)
Show SMILES Cc1cncc(n1)-c1cc2n(ncc2cn1)-c1cccc(n1)C1CNCCC1O
Show InChI InChI=1/C21H21N7O/c1-13-8-23-12-18(26-13)17-7-19-14(9-24-17)10-25-28(19)21-4-2-3-16(27-21)15-11-22-6-5-20(15)29/h2-4,7-10,12,15,20,22,29H,5-6,11H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.206 -13.2n/an/an/an/an/a7.225



F. Hoffmann-La Roche Inc

US Patent


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


US Patent US9434725 (2016)


BindingDB Entry DOI: 10.7270/Q2CF9P1N
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM249034
PNG
(US9434725, 265)
Show SMILES Cc1cncc(n1)-c1cc2n(ncc2cn1)-c1cccc(n1)C1CNCCC1O
Show InChI InChI=1/C21H21N7O/c1-13-8-23-12-18(26-13)17-7-19-14(9-24-17)10-25-28(19)21-4-2-3-16(27-21)15-11-22-6-5-20(15)29/h2-4,7-10,12,15,20,22,29H,5-6,11H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.941 -12.3n/an/an/an/an/a7.225



F. Hoffmann-La Roche Inc

US Patent


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


US Patent US9434725 (2016)


BindingDB Entry DOI: 10.7270/Q2CF9P1N
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM249034
PNG
(US9434725, 265)
Show SMILES Cc1cncc(n1)-c1cc2n(ncc2cn1)-c1cccc(n1)C1CNCCC1O
Show InChI InChI=1/C21H21N7O/c1-13-8-23-12-18(26-13)17-7-19-14(9-24-17)10-25-28(19)21-4-2-3-16(27-21)15-11-22-6-5-20(15)29/h2-4,7-10,12,15,20,22,29H,5-6,11H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
8.79 -11.0n/an/an/an/an/a7.225



F. Hoffmann-La Roche Inc

US Patent


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


US Patent US9434725 (2016)


BindingDB Entry DOI: 10.7270/Q2CF9P1N
More data for this
Ligand-Target Pair