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BDBM248970 US9434725, 201

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

InChI Key: InChIKey=OSJCCDKQCYGFSD-KRWDZBQOSA-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 = 248970   
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))
BDBM248970
PNG
(US9434725, 201)
Show SMILES Cc1cncc(n1)-c1cc2n(ncc2cn1)-c1ccc(C#N)c(n1)N1CCC[C@H](N)C1 |r|
Show InChI InChI=1S/C22H21N9/c1-14-9-25-12-19(28-14)18-7-20-16(10-26-18)11-27-31(20)21-5-4-15(8-23)22(29-21)30-6-2-3-17(24)13-30/h4-5,7,9-12,17H,2-3,6,13,24H2,1H3/t17-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.0200 -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))
BDBM248970
PNG
(US9434725, 201)
Show SMILES Cc1cncc(n1)-c1cc2n(ncc2cn1)-c1ccc(C#N)c(n1)N1CCC[C@H](N)C1 |r|
Show InChI InChI=1S/C22H21N9/c1-14-9-25-12-19(28-14)18-7-20-16(10-26-18)11-27-31(20)21-5-4-15(8-23)22(29-21)30-6-2-3-17(24)13-30/h4-5,7,9-12,17H,2-3,6,13,24H2,1H3/t17-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.0680 -13.9n/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-2


(Homo sapiens (Human))
BDBM248970
PNG
(US9434725, 201)
Show SMILES Cc1cncc(n1)-c1cc2n(ncc2cn1)-c1ccc(C#N)c(n1)N1CCC[C@H](N)C1 |r|
Show InChI InChI=1S/C22H21N9/c1-14-9-25-12-19(28-14)18-7-20-16(10-26-18)11-27-31(20)21-5-4-15(8-23)22(29-21)30-6-2-3-17(24)13-30/h4-5,7,9-12,17H,2-3,6,13,24H2,1H3/t17-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.286 -13.0n/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))
BDBM248970
PNG
(US9434725, 201)
Show SMILES Cc1cncc(n1)-c1cc2n(ncc2cn1)-c1ccc(C#N)c(n1)N1CCC[C@H](N)C1 |r|
Show InChI InChI=1S/C22H21N9/c1-14-9-25-12-19(28-14)18-7-20-16(10-26-18)11-27-31(20)21-5-4-15(8-23)22(29-21)30-6-2-3-17(24)13-30/h4-5,7,9-12,17H,2-3,6,13,24H2,1H3/t17-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 490n/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