BindingDB logo
myBDB logout

BDBM50149169 CHEMBL127570::Cyclopropanecarboxylic acid [3-(2-methyl-benzooxazol-7-yl)-propyl]-amide

SMILES: Cc1nc2cccc(CCCNC(=O)C3CC3)c2o1

InChI Key: InChIKey=PCMHFEOUQIISFM-UHFFFAOYSA-N

Data: 2 KI  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 3 hits for monomerid = 50149169   
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
Melatonin receptor


(Homo sapiens (Human))
BDBM50149169
PNG
(CHEMBL127570 | Cyclopropanecarboxylic acid [3-(2-m...)
Show SMILES Cc1nc2cccc(CCCNC(=O)C3CC3)c2o1
Show InChI InChI=1S/C15H18N2O2/c1-10-17-13-6-2-4-11(14(13)19-10)5-3-9-16-15(18)12-7-8-12/h2,4,6,12H,3,5,7-9H2,1H3,(H,16,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.700n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human Melatonin receptor type 1A by using 2-[125I]-iodomelatonin as radioligand


Bioorg Med Chem Lett 14: 3799-802 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.082
BindingDB Entry DOI: 10.7270/Q2S75FSR
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50149169
PNG
(CHEMBL127570 | Cyclopropanecarboxylic acid [3-(2-m...)
Show SMILES Cc1nc2cccc(CCCNC(=O)C3CC3)c2o1
Show InChI InChI=1S/C15H18N2O2/c1-10-17-13-6-2-4-11(14(13)19-10)5-3-9-16-15(18)12-7-8-12/h2,4,6,12H,3,5,7-9H2,1H3,(H,16,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human Melatonin receptor type 1B by using 2-[125I]-iodomelatonin as radioligand


Bioorg Med Chem Lett 14: 3799-802 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.082
BindingDB Entry DOI: 10.7270/Q2S75FSR
More data for this
Ligand-Target Pair
Melatonin receptor 1B


(Rattus norvegicus)
BDBM50149169
PNG
(CHEMBL127570 | Cyclopropanecarboxylic acid [3-(2-m...)
Show SMILES Cc1nc2cccc(CCCNC(=O)C3CC3)c2o1
Show InChI InChI=1S/C15H18N2O2/c1-10-17-13-6-2-4-11(14(13)19-10)5-3-9-16-15(18)12-7-8-12/h2,4,6,12H,3,5,7-9H2,1H3,(H,16,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.740n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Agonist activity of the compound was tested for its ability to inhibitforskolin-stimulated cAMP accumulation against MT receptor


Bioorg Med Chem Lett 14: 3799-802 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.082
BindingDB Entry DOI: 10.7270/Q2S75FSR
More data for this
Ligand-Target Pair