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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50262273   
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


(Homo sapiens (Human))
BDBM50262273
PNG
(2-(4-methoxy-3-methylphenyl)-5-(5-(methoxymethyl)-...)
Show SMILES COCc1nnc(-c2cnc(cn2)-c2ccc(OC)c(C)c2)n1-c1ccc(OC)nc1
Show InChI InChI=1S/C22H22N6O3/c1-14-9-15(5-7-19(14)30-3)17-11-24-18(12-23-17)22-27-26-20(13-29-2)28(22)16-6-8-21(31-4)25-10-16/h5-12H,13H2,1-4H3
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PC cid
PC sid
UniChem

Similars

Article
PubMed
537n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned oxytocin receptor by cell based beta lactamase reporter assay


Bioorg Med Chem Lett 18: 4278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.098
BindingDB Entry DOI: 10.7270/Q28W3D4Z
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50262273
PNG
(2-(4-methoxy-3-methylphenyl)-5-(5-(methoxymethyl)-...)
Show SMILES COCc1nnc(-c2cnc(cn2)-c2ccc(OC)c(C)c2)n1-c1ccc(OC)nc1
Show InChI InChI=1S/C22H22N6O3/c1-14-9-15(5-7-19(14)30-3)17-11-24-18(12-23-17)22-27-26-20(13-29-2)28(22)16-6-8-21(31-4)25-10-16/h5-12H,13H2,1-4H3
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UniProtKB/SwissProt

antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.41E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at vassopressin V1a receptor (unknown origin)


Bioorg Med Chem Lett 18: 4278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.098
BindingDB Entry DOI: 10.7270/Q28W3D4Z
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50262273
PNG
(2-(4-methoxy-3-methylphenyl)-5-(5-(methoxymethyl)-...)
Show SMILES COCc1nnc(-c2cnc(cn2)-c2ccc(OC)c(C)c2)n1-c1ccc(OC)nc1
Show InChI InChI=1S/C22H22N6O3/c1-14-9-15(5-7-19(14)30-3)17-11-24-18(12-23-17)22-27-26-20(13-29-2)28(22)16-6-8-21(31-4)25-10-16/h5-12H,13H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at vassopressin V2 receptor (unknown origin)


Bioorg Med Chem Lett 18: 4278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.098
BindingDB Entry DOI: 10.7270/Q28W3D4Z
More data for this
Ligand-Target Pair