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BDBM50236545 CHEMBL4087125

SMILES: Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(cc1)-c1nnn[nH]1

InChI Key:

Data: 3 IC50  1 EC50

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 = 50236545   
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
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50236545
PNG
(CHEMBL4087125)
Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(cc1)-c1nnn[nH]1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



QIMR Berghofer Medical Research Institute

Curated by ChEMBL




J Med Chem 60: 2052-2070 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01840
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50236545
PNG
(CHEMBL4087125)
Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(cc1)-c1nnn[nH]1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 42n/an/an/an/an/an/a



QIMR Berghofer Medical Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against human androgen receptor (hAR) in CV-1 cells using cotransfection assay


J Med Chem 60: 2052-2070 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01840
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1/CLK4


(Homo sapiens (Human))
BDBM50236545
PNG
(CHEMBL4087125)
Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(cc1)-c1nnn[nH]1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 7.00E+4n/an/an/an/a



QIMR Berghofer Medical Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against human androgen receptor (hAR) in CV-1 cells using cotransfection assay


J Med Chem 60: 2052-2070 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01840
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50236545
PNG
(CHEMBL4087125)
Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(cc1)-c1nnn[nH]1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 408n/an/an/an/an/an/a



QIMR Berghofer Medical Research Institute

Curated by ChEMBL




J Med Chem 60: 2052-2070 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01840
More data for this
Ligand-Target Pair