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SMILES: Cn1cc(cn1)-c1c[nH]c2ncc(cc12)[C@H]1CC[C@@H](CC1)N1CCCOCC1

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 3 hits for monomerid = 50059663   
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
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50059663
PNG
(CHEMBL3393597)
Show SMILES Cn1cc(cn1)-c1c[nH]c2ncc(cc12)[C@H]1CC[C@@H](CC1)N1CCCOCC1 |r,wU:15.17,wD:18.24,(4.88,5.24,;3.83,4.58,;3.72,3.05,;2.23,2.7,;1.41,3.98,;2.4,5.16,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;-3.71,1.53,;-5.05,.76,;-6.38,1.53,;-6.38,3.07,;-5.05,3.84,;-3.72,3.07,;-7.72,3.84,;-7.62,5.38,;-8.75,6.43,;-10.27,6.2,;-11.04,4.86,;-10.48,3.43,;-9.01,2.98,)|
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 166n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK1 (unknown origin) by time-resolved fluorescence assay


J Med Chem 58: 72-95 (2015)


Article DOI: 10.1021/jm501212r
BindingDB Entry DOI: 10.7270/Q2JH3NVZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50059663
PNG
(CHEMBL3393597)
Show SMILES Cn1cc(cn1)-c1c[nH]c2ncc(cc12)[C@H]1CC[C@@H](CC1)N1CCCOCC1 |r,wU:15.17,wD:18.24,(4.88,5.24,;3.83,4.58,;3.72,3.05,;2.23,2.7,;1.41,3.98,;2.4,5.16,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;-3.71,1.53,;-5.05,.76,;-6.38,1.53,;-6.38,3.07,;-5.05,3.84,;-3.72,3.07,;-7.72,3.84,;-7.62,5.38,;-8.75,6.43,;-10.27,6.2,;-11.04,4.86,;-10.48,3.43,;-9.01,2.98,)|
PDB
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KEGG

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Article
PubMed
n/an/a 129n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK3 (unknown origin) by time-resolved fluorescence assay


J Med Chem 58: 72-95 (2015)


Article DOI: 10.1021/jm501212r
BindingDB Entry DOI: 10.7270/Q2JH3NVZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50059663
PNG
(CHEMBL3393597)
Show SMILES Cn1cc(cn1)-c1c[nH]c2ncc(cc12)[C@H]1CC[C@@H](CC1)N1CCCOCC1 |r,wU:15.17,wD:18.24,(4.88,5.24,;3.83,4.58,;3.72,3.05,;2.23,2.7,;1.41,3.98,;2.4,5.16,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;-3.71,1.53,;-5.05,.76,;-6.38,1.53,;-6.38,3.07,;-5.05,3.84,;-3.72,3.07,;-7.72,3.84,;-7.62,5.38,;-8.75,6.43,;-10.27,6.2,;-11.04,4.86,;-10.48,3.43,;-9.01,2.98,)|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 339n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK2 (unknown origin) by time-resolved fluorescence assay


J Med Chem 58: 72-95 (2015)


Article DOI: 10.1021/jm501212r
BindingDB Entry DOI: 10.7270/Q2JH3NVZ
More data for this
Ligand-Target Pair