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BDBM50089223 CHEMBL3577855

InChI string: InChI=1/C16H22N4O2/c1-10(2)20-14(22)8-3-11-9-17-16(19-15(11)20)18-12-4-6-13(21)7-5-12/h3,8-10,12-13,21H,4-7H2,1-2H3,(H,17,18,19)/t12-,13-

SMILES: CC(C)n1c2nc(N[C@H]3CC[C@H](O)CC3)ncc2ccc1=O

InChI Key: InChIKey=PTVSTQCTVOIQBP-JOCQHMNTNA-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 = 50089223   
Target
(Institution)
LigandTarget
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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50089223
PNG
(CHEMBL3577855)
Show SMILES CC(C)n1c2nc(N[C@H]3CC[C@H](O)CC3)ncc2ccc1=O
Show InChI InChI=1/C16H22N4O2/c1-10(2)20-14(22)8-3-11-9-17-16(19-15(11)20)18-12-4-6-13(21)7-5-12/h3,8-10,12-13,21H,4-7H2,1-2H3,(H,17,18,19)/t12-,13-
PDB
MMDB

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PC cid
PC sid
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AffyNet 
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK1 (unknown origin) using biotinylated FL-ATF-2 as substrate after 1 hr by homogeneous time-resolved fluorescence assay


ACS Med Chem Lett 6: 413-8 (2015)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50089223
PNG
(CHEMBL3577855)
Show SMILES CC(C)n1c2nc(N[C@H]3CC[C@H](O)CC3)ncc2ccc1=O
Show InChI InChI=1/C16H22N4O2/c1-10(2)20-14(22)8-3-11-9-17-16(19-15(11)20)18-12-4-6-13(21)7-5-12/h3,8-10,12-13,21H,4-7H2,1-2H3,(H,17,18,19)/t12-,13-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 58n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3alpha-1 (unknown origin) using biotinylated FL-ATF-2 as substrate after 1 hr by homogeneous time-resolved fluorescence assay


ACS Med Chem Lett 6: 413-8 (2015)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50089223
PNG
(CHEMBL3577855)
Show SMILES CC(C)n1c2nc(N[C@H]3CC[C@H](O)CC3)ncc2ccc1=O
Show InChI InChI=1/C16H22N4O2/c1-10(2)20-14(22)8-3-11-9-17-16(19-15(11)20)18-12-4-6-13(21)7-5-12/h3,8-10,12-13,21H,4-7H2,1-2H3,(H,17,18,19)/t12-,13-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK2 (unknown origin) using biotinylated FL-ATF-2 as substrate after 1 hr by homogeneous time-resolved fluorescence assay


ACS Med Chem Lett 6: 413-8 (2015)

More data for this
Ligand-Target Pair