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BDBM50410630 CHEMBL2113209

SMILES: CCCOc1ccc(cc1)S(=O)(=O)N(CC(=O)NN=C1C(=O)Nc2ccccc12)c1ccc(Cl)cc1

InChI Key: InChIKey=LEIJPHABCJFILJ-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50410630   
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
Oxytocin receptor


(Homo sapiens (Human))
BDBM50410630
PNG
(CHEMBL2113209)
Show SMILES CCCOc1ccc(cc1)S(=O)(=O)N(CC(=O)NN=C1C(=O)Nc2ccccc12)c1ccc(Cl)cc1 |w:18.18|
Show InChI InChI=1S/C25H23ClN4O5S/c1-2-15-35-19-11-13-20(14-12-19)36(33,34)30(18-9-7-17(26)8-10-18)16-23(31)28-29-24-21-5-3-4-6-22(21)27-25(24)32/h3-14H,2,15-16H2,1H3,(H,28,31)(H,27,29,32)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
10n/an/an/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]OVTA antagonist from human oxytocin receptor expressed in HEK293-EBNA cells


J Med Chem 48: 7882-905 (2005)


Article DOI: 10.1021/jm050645f
BindingDB Entry DOI: 10.7270/Q2QF8TN3
More data for this
Ligand-Target Pair