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SMILES: NC(=O)c1cc(ccc1O)-c1cn2cc(O)ccc2n1

InChI Key: InChIKey=JPSJWJIHWSYPQG-UHFFFAOYSA-N

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 = 50204646   
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 protein kinase CLK1


(Homo sapiens (Human))
BDBM50204646
PNG
(CHEMBL3962894)
Show SMILES NC(=O)c1cc(ccc1O)-c1cn2cc(O)ccc2n1
Show InChI InChI=1S/C14H11N3O3/c15-14(20)10-5-8(1-3-12(10)19)11-7-17-6-9(18)2-4-13(17)16-11/h1-7,18-19H,(H2,15,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 890n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of CLK1 (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha/beta


(Homo sapiens (Human))
BDBM50204646
PNG
(CHEMBL3962894)
Show SMILES NC(=O)c1cc(ccc1O)-c1cn2cc(O)ccc2n1
Show InChI InChI=1S/C14H11N3O3/c15-14(20)10-5-8(1-3-12(10)19)11-7-17-6-9(18)2-4-13(17)16-11/h1-7,18-19H,(H2,15,20)
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of GSK-3 alpha/beta (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Casein kinase I isoform delta/epsilon


(Homo sapiens (Human))
BDBM50204646
PNG
(CHEMBL3962894)
Show SMILES NC(=O)c1cc(ccc1O)-c1cn2cc(O)ccc2n1
Show InChI InChI=1S/C14H11N3O3/c15-14(20)10-5-8(1-3-12(10)19)11-7-17-6-9(18)2-4-13(17)16-11/h1-7,18-19H,(H2,15,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of CK1 delta/epsilon (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50204646
PNG
(CHEMBL3962894)
Show SMILES NC(=O)c1cc(ccc1O)-c1cn2cc(O)ccc2n1
Show InChI InChI=1S/C14H11N3O3/c15-14(20)10-5-8(1-3-12(10)19)11-7-17-6-9(18)2-4-13(17)16-11/h1-7,18-19H,(H2,15,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair