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SMILES: CN1CCC(CNC2=NC(=O)\C(S2)=C\c2csc(n2)-c2ccc(OC(F)(F)F)cc2)CC1

InChI Key:

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 7 hits for monomerid = 50552171   
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))
BDBM50552171
PNG
(CHEMBL4757567)
Show SMILES CN1CCC(CNC2=NC(=O)\C(S2)=C\c2csc(n2)-c2ccc(OC(F)(F)F)cc2)CC1 |t:7|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 22n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2020.115724
BindingDB Entry DOI: 10.7270/Q2PC3607
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GSC2


(Saccharomyces cerevisiae)
BDBM50552171
PNG
(CHEMBL4757567)
Show SMILES CN1CCC(CNC2=NC(=O)\C(S2)=C\c2csc(n2)-c2ccc(OC(F)(F)F)cc2)CC1 |t:7|
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.90E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2020.115724
BindingDB Entry DOI: 10.7270/Q2PC3607
More data for this
Ligand-Target Pair
Death-associated protein kinase 1


(Homo sapiens (Human))
BDBM50552171
PNG
(CHEMBL4757567)
Show SMILES CN1CCC(CNC2=NC(=O)\C(S2)=C\c2csc(n2)-c2ccc(OC(F)(F)F)cc2)CC1 |t:7|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.95E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2020.115724
BindingDB Entry DOI: 10.7270/Q2PC3607
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50552171
PNG
(CHEMBL4757567)
Show SMILES CN1CCC(CNC2=NC(=O)\C(S2)=C\c2csc(n2)-c2ccc(OC(F)(F)F)cc2)CC1 |t:7|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2020.115724
BindingDB Entry DOI: 10.7270/Q2PC3607
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50552171
PNG
(CHEMBL4757567)
Show SMILES CN1CCC(CNC2=NC(=O)\C(S2)=C\c2csc(n2)-c2ccc(OC(F)(F)F)cc2)CC1 |t:7|
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 75n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2020.115724
BindingDB Entry DOI: 10.7270/Q2PC3607
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50552171
PNG
(CHEMBL4757567)
Show SMILES CN1CCC(CNC2=NC(=O)\C(S2)=C\c2csc(n2)-c2ccc(OC(F)(F)F)cc2)CC1 |t:7|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.12E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2020.115724
BindingDB Entry DOI: 10.7270/Q2PC3607
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50552171
PNG
(CHEMBL4757567)
Show SMILES CN1CCC(CNC2=NC(=O)\C(S2)=C\c2csc(n2)-c2ccc(OC(F)(F)F)cc2)CC1 |t:7|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 86n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2020.115724
BindingDB Entry DOI: 10.7270/Q2PC3607
More data for this
Ligand-Target Pair