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BDBM50441919 CHEMBL2437301

SMILES: N=c1scc(-c2ccccc2)n1CC(=O)N1CCOCC1

InChI Key: InChIKey=BPAPVVZKFSFVIH-UHFFFAOYSA-N

Data: 4 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50441919   
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
Thymidylate synthase


(Homo sapiens (Human))
BDBM50441919
PNG
(CHEMBL2437301)
Show SMILES N=c1scc(-c2ccccc2)n1CC(=O)N1CCOCC1
Show InChI InChI=1S/C15H17N3O2S/c16-15-18(10-14(19)17-6-8-20-9-7-17)13(11-21-15)12-4-2-1-3-5-12/h1-5,11,16H,6-10H2
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MMDB

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PC cid
PC sid
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Similars

Article
PubMed
6.22E+3n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human thymidylate synthase


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
BindingDB Entry DOI: 10.7270/Q2TM7CJN
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50441919
PNG
(CHEMBL2437301)
Show SMILES N=c1scc(-c2ccccc2)n1CC(=O)N1CCOCC1
Show InChI InChI=1S/C15H17N3O2S/c16-15-18(10-14(19)17-6-8-20-9-7-17)13(11-21-15)12-4-2-1-3-5-12/h1-5,11,16H,6-10H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.65E+3n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human leukotriene A-4 hydrolase


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
BindingDB Entry DOI: 10.7270/Q2TM7CJN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50441919
PNG
(CHEMBL2437301)
Show SMILES N=c1scc(-c2ccccc2)n1CC(=O)N1CCOCC1
Show InChI InChI=1S/C15H17N3O2S/c16-15-18(10-14(19)17-6-8-20-9-7-17)13(11-21-15)12-4-2-1-3-5-12/h1-5,11,16H,6-10H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
GoogleScholar
CHEMBL
PC cid
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UniChem

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Article
PubMed
1.38E+4n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human MAPK1


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
BindingDB Entry DOI: 10.7270/Q2TM7CJN
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50441919
PNG
(CHEMBL2437301)
Show SMILES N=c1scc(-c2ccccc2)n1CC(=O)N1CCOCC1
Show InChI InChI=1S/C15H17N3O2S/c16-15-18(10-14(19)17-6-8-20-9-7-17)13(11-21-15)12-4-2-1-3-5-12/h1-5,11,16H,6-10H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.44E+4n/an/an/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of human vitamin D3 receptor


Eur J Med Chem 69: 908-19 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.021
BindingDB Entry DOI: 10.7270/Q2TM7CJN
More data for this
Ligand-Target Pair