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BDBM248950 US9434725, 181

SMILES: Cc1cncc(n1)-c1cc2n(ncc2cn1)-c1ccc(C2CC2)c(n1)N1CCC[C@H](N)C1

InChI Key: InChIKey=OYVCFKLZLLYNOW-SFHVURJKSA-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 = 248950   
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))
BDBM248950
PNG
(US9434725, 181)
Show SMILES Cc1cncc(n1)-c1cc2n(ncc2cn1)-c1ccc(C2CC2)c(n1)N1CCC[C@H](N)C1 |r|
Show InChI InChI=1S/C24H26N8/c1-15-10-26-13-21(29-15)20-9-22-17(11-27-20)12-28-32(22)23-7-6-19(16-4-5-16)24(30-23)31-8-2-3-18(25)14-31/h6-7,9-13,16,18H,2-5,8,14,25H2,1H3/t18-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.0140 -14.8n/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-3


(Homo sapiens (Human))
BDBM248950
PNG
(US9434725, 181)
Show SMILES Cc1cncc(n1)-c1cc2n(ncc2cn1)-c1ccc(C2CC2)c(n1)N1CCC[C@H](N)C1 |r|
Show InChI InChI=1S/C24H26N8/c1-15-10-26-13-21(29-15)20-9-22-17(11-27-20)12-28-32(22)23-7-6-19(16-4-5-16)24(30-23)31-8-2-3-18(25)14-31/h6-7,9-13,16,18H,2-5,8,14,25H2,1H3/t18-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.0190 -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-2


(Homo sapiens (Human))
BDBM248950
PNG
(US9434725, 181)
Show SMILES Cc1cncc(n1)-c1cc2n(ncc2cn1)-c1ccc(C2CC2)c(n1)N1CCC[C@H](N)C1 |r|
Show InChI InChI=1S/C24H26N8/c1-15-10-26-13-21(29-15)20-9-22-17(11-27-20)12-28-32(22)23-7-6-19(16-4-5-16)24(30-23)31-8-2-3-18(25)14-31/h6-7,9-13,16,18H,2-5,8,14,25H2,1H3/t18-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.0770 -13.8n/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))
BDBM248950
PNG
(US9434725, 181)
Show SMILES Cc1cncc(n1)-c1cc2n(ncc2cn1)-c1ccc(C2CC2)c(n1)N1CCC[C@H](N)C1 |r|
Show InChI InChI=1S/C24H26N8/c1-15-10-26-13-21(29-15)20-9-22-17(11-27-20)12-28-32(22)23-7-6-19(16-4-5-16)24(30-23)31-8-2-3-18(25)14-31/h6-7,9-13,16,18H,2-5,8,14,25H2,1H3/t18-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 214n/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