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BDBM161968 US9682991, 17

SMILES: CN1CCC(CNc2nn3c(nnc3c3N(C)CCOc23)-c2cccc(OC(F)(F)F)c2)CC1

InChI Key: InChIKey=CJJQJGCGAHFGLB-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 161968   
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))
BDBM161968
PNG
(US9682991, 17)
Show SMILES CN1CCC(CNc2nn3c(nnc3c3N(C)CCOc23)-c2cccc(OC(F)(F)F)c2)CC1
Show InChI InChI=1S/C22H26F3N7O2/c1-30-8-6-14(7-9-30)13-26-19-18-17(31(2)10-11-33-18)21-28-27-20(32(21)29-19)15-4-3-5-16(12-15)34-22(23,24)25/h3-5,12,14H,6-11,13H2,1-2H3,(H,26,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III

US Patent


Assay Description
The biochemical assay to measure PIM-1 activity relies on the ADP Hunter assay kit (DiscoveRx Corp., Cat. #90-0077), that determines the amount of AD...


US Patent US9682991 (2017)


BindingDB Entry DOI: 10.7270/Q2513WCB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM161968
PNG
(US9682991, 17)
Show SMILES CN1CCC(CNc2nn3c(nnc3c3N(C)CCOc23)-c2cccc(OC(F)(F)F)c2)CC1
Show InChI InChI=1S/C22H26F3N7O2/c1-30-8-6-14(7-9-30)13-26-19-18-17(31(2)10-11-33-18)21-28-27-20(32(21)29-19)15-4-3-5-16(12-15)34-22(23,24)25/h3-5,12,14H,6-11,13H2,1-2H3,(H,26,29)
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III

US Patent


Assay Description
The biochemical assay to measure PIM-3 activity relies on the ADP Hunter assay kit (DiscoveRx Corp., Cat. #90-0077), that determines the amount of AD...


US Patent US9682991 (2017)


BindingDB Entry DOI: 10.7270/Q2513WCB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM161968
PNG
(US9682991, 17)
Show SMILES CN1CCC(CNc2nn3c(nnc3c3N(C)CCOc23)-c2cccc(OC(F)(F)F)c2)CC1
Show InChI InChI=1S/C22H26F3N7O2/c1-30-8-6-14(7-9-30)13-26-19-18-17(31(2)10-11-33-18)21-28-27-20(32(21)29-19)15-4-3-5-16(12-15)34-22(23,24)25/h3-5,12,14H,6-11,13H2,1-2H3,(H,26,29)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+3n/an/an/an/an/an/a



FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III

US Patent


Assay Description
The biochemical assay to measure PIM-2 activity relies on the ADP Hunter assay kit (DiscoveRx Corp., Cat. #90-0077), that determines the amount of AD...


US Patent US9682991 (2017)


BindingDB Entry DOI: 10.7270/Q2513WCB
More data for this
Ligand-Target Pair