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BDBM248891 US9434725, 122

SMILES: CCc1cncc(c1)-c1cc2n(ncc2cn1)-c1cccc(n1)N1CCNC[C@@H](O)C1

InChI Key: InChIKey=QBMHBUSZNODSPS-TWYLJJHKNA-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 = 248891   
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))
BDBM248891
PNG
(US9434725, 122)
Show SMILES CCc1cncc(c1)-c1cc2n(ncc2cn1)-c1cccc(n1)N1CCNC[C@@H](O)C1
Show InChI InChI=1/C23H25N7O/c1-2-16-8-17(11-25-10-16)20-9-21-18(12-26-20)13-27-30(21)23-5-3-4-22(28-23)29-7-6-24-14-19(31)15-29/h3-5,8-13,19,24,31H,2,6-7,14-15H2,1H3/t19-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0560 -14.0n/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
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM248891
PNG
(US9434725, 122)
Show SMILES CCc1cncc(c1)-c1cc2n(ncc2cn1)-c1cccc(n1)N1CCNC[C@@H](O)C1
Show InChI InChI=1/C23H25N7O/c1-2-16-8-17(11-25-10-16)20-9-21-18(12-26-20)13-27-30(21)23-5-3-4-22(28-23)29-7-6-24-14-19(31)15-29/h3-5,8-13,19,24,31H,2,6-7,14-15H2,1H3/t19-/s2
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0830 -13.7n/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))
BDBM248891
PNG
(US9434725, 122)
Show SMILES CCc1cncc(c1)-c1cc2n(ncc2cn1)-c1cccc(n1)N1CCNC[C@@H](O)C1
Show InChI InChI=1/C23H25N7O/c1-2-16-8-17(11-25-10-16)20-9-21-18(12-26-20)13-27-30(21)23-5-3-4-22(28-23)29-7-6-24-14-19(31)15-29/h3-5,8-13,19,24,31H,2,6-7,14-15H2,1H3/t19-/s2
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
4.59 -11.4n/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


(Mus musculus (Mouse))
BDBM248891
PNG
(US9434725, 122)
Show SMILES CCc1cncc(c1)-c1cc2n(ncc2cn1)-c1cccc(n1)N1CCNC[C@@H](O)C1
Show InChI InChI=1/C23H25N7O/c1-2-16-8-17(11-25-10-16)20-9-21-18(12-26-20)13-27-30(21)23-5-3-4-22(28-23)29-7-6-24-14-19(31)15-29/h3-5,8-13,19,24,31H,2,6-7,14-15H2,1H3/t19-/s2
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 71.5n/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

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