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BDBM249051 US9434725, 282

SMILES: OCCNc1cncc(n1)-c1cc2n(ncc2cn1)-c1cccc(n1)N1CCNCC1

InChI Key: InChIKey=OOWGEGYPCQGHJZ-UHFFFAOYSA-N

Data: 3 KI  1 IC50

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 = 249051   
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))
BDBM249051
PNG
(US9434725, 282)
Show SMILES OCCNc1cncc(n1)-c1cc2n(ncc2cn1)-c1cccc(n1)N1CCNCC1
Show InChI InChI=1S/C21H23N9O/c31-9-6-24-19-14-23-13-17(27-19)16-10-18-15(11-25-16)12-26-30(18)21-3-1-2-20(28-21)29-7-4-22-5-8-29/h1-3,10-14,22,31H,4-9H2,(H,24,27)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.0210 -14.6n/an/an/an/an/a7.225



F. HOFFMANN-LA ROCHE AG

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))
BDBM249051
PNG
(US9434725, 282)
Show SMILES OCCNc1cncc(n1)-c1cc2n(ncc2cn1)-c1cccc(n1)N1CCNCC1
Show InChI InChI=1S/C21H23N9O/c31-9-6-24-19-14-23-13-17(27-19)16-10-18-15(11-25-16)12-26-30(18)21-3-1-2-20(28-21)29-7-4-22-5-8-29/h1-3,10-14,22,31H,4-9H2,(H,24,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.0260 -14.4n/an/an/an/an/a7.225



F. HOFFMANN-LA ROCHE AG

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))
BDBM249051
PNG
(US9434725, 282)
Show SMILES OCCNc1cncc(n1)-c1cc2n(ncc2cn1)-c1cccc(n1)N1CCNCC1
Show InChI InChI=1S/C21H23N9O/c31-9-6-24-19-14-23-13-17(27-19)16-10-18-15(11-25-16)12-26-30(18)21-3-1-2-20(28-21)29-7-4-22-5-8-29/h1-3,10-14,22,31H,4-9H2,(H,24,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.357 -12.9n/an/an/an/an/a7.225



F. HOFFMANN-LA ROCHE AG

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


(Mus musculus (Mouse))
BDBM249051
PNG
(US9434725, 282)
Show SMILES OCCNc1cncc(n1)-c1cc2n(ncc2cn1)-c1cccc(n1)N1CCNCC1
Show InChI InChI=1S/C21H23N9O/c31-9-6-24-19-14-23-13-17(27-19)16-10-18-15(11-25-16)12-26-30(18)21-3-1-2-20(28-21)29-7-4-22-5-8-29/h1-3,10-14,22,31H,4-9H2,(H,24,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 170n/an/an/an/an/an/a



F. HOFFMANN-LA ROCHE AG

US Patent


Assay Description
BaF3, a murine interleukin-3 dependent pro-B cell line, parental cells, BaF3 PIM1 cells, BaF3 PIM2 cells, and MM1.S (multiple myeloma) cells were see...


US Patent US9434725 (2016)


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