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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50410626'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Oxytocin receptor


(HEK293)
BDBM50410626
PNG
(CHEMBL2113200)
Show SMILES CN(C)CCCOc1ccc(cc1)S(=O)(=O)N(CC(=O)N\N=C1/C(=O)Nc2ccncc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H27ClN6O5S/c1-32(2)14-3-15-38-20-8-10-21(11-9-20)39(36,37)33(19-6-4-18(27)5-7-19)17-24(34)30-31-25-22-16-28-13-12-23(22)29-26(25)35/h4-13,16H,3,14-15,17H2,1-2H3,(H,30,34)(H,29,31,35)
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PC sid
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115n/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
Oxytocin receptor


(RAT)
BDBM50410626
PNG
(CHEMBL2113200)
Show SMILES CN(C)CCCOc1ccc(cc1)S(=O)(=O)N(CC(=O)N\N=C1/C(=O)Nc2ccncc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H27ClN6O5S/c1-32(2)14-3-15-38-20-8-10-21(11-9-20)39(36,37)33(19-6-4-18(27)5-7-19)17-24(34)30-31-25-22-16-28-13-12-23(22)29-26(25)35/h4-13,16H,3,14-15,17H2,1-2H3,(H,30,34)(H,29,31,35)
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PC sid
UniChem
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140n/an/an/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]OVTA antagonist from rat 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
Oxytocin receptor


(HEK293)
BDBM50410626
PNG
(CHEMBL2113200)
Show SMILES CN(C)CCCOc1ccc(cc1)S(=O)(=O)N(CC(=O)N\N=C1/C(=O)Nc2ccncc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H27ClN6O5S/c1-32(2)14-3-15-38-20-8-10-21(11-9-20)39(36,37)33(19-6-4-18(27)5-7-19)17-24(34)30-31-25-22-16-28-13-12-23(22)29-26(25)35/h4-13,16H,3,14-15,17H2,1-2H3,(H,30,34)(H,29,31,35)
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PC sid
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Article
PubMed
n/an/a 840n/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected 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