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BDBM50305517 (R)-5-(3-(3-(4-fluoro-2-methylphenoxy)pyrrolidin-1-yl)-5-(methoxymethyl)-4H-1,2,4-triazol-4-yl)-2-methoxypyridine::CHEMBL592732

SMILES: COCc1nnc(N2CC[C@H](C2)Oc2ccc(F)cc2C)n1-c1ccc(OC)nc1

InChI Key: InChIKey=PEQYLPNRGBWXGI-QGZVFWFLSA-N

Data: 3 KI

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 = 50305517   
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


(HEK293)
BDBM50305517
PNG
((R)-5-(3-(3-(4-fluoro-2-methylphenoxy)pyrrolidin-1...)
Show SMILES COCc1nnc(N2CC[C@H](C2)Oc2ccc(F)cc2C)n1-c1ccc(OC)nc1 |r|
Show InChI InChI=1S/C21H24FN5O3/c1-14-10-15(22)4-6-18(14)30-17-8-9-26(12-17)21-25-24-19(13-28-2)27(21)16-5-7-20(29-3)23-11-16/h4-7,10-11,17H,8-9,12-13H2,1-3H3/t17-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
17.9n/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 assay


Bioorg Med Chem Lett 20: 516-20 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.097
BindingDB Entry DOI: 10.7270/Q2MS3SWF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50305517
PNG
((R)-5-(3-(3-(4-fluoro-2-methylphenoxy)pyrrolidin-1...)
Show SMILES COCc1nnc(N2CC[C@H](C2)Oc2ccc(F)cc2C)n1-c1ccc(OC)nc1 |r|
Show InChI InChI=1S/C21H24FN5O3/c1-14-10-15(22)4-6-18(14)30-17-8-9-26(12-17)21-25-24-19(13-28-2)27(21)16-5-7-20(29-3)23-11-16/h4-7,10-11,17H,8-9,12-13H2,1-3H3/t17-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
586n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned vasopressin V1a receptor by cell based beta lactamase assay


Bioorg Med Chem Lett 20: 516-20 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.097
BindingDB Entry DOI: 10.7270/Q2MS3SWF
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50305517
PNG
((R)-5-(3-(3-(4-fluoro-2-methylphenoxy)pyrrolidin-1...)
Show SMILES COCc1nnc(N2CC[C@H](C2)Oc2ccc(F)cc2C)n1-c1ccc(OC)nc1 |r|
Show InChI InChI=1S/C21H24FN5O3/c1-14-10-15(22)4-6-18(14)30-17-8-9-26(12-17)21-25-24-19(13-28-2)27(21)16-5-7-20(29-3)23-11-16/h4-7,10-11,17H,8-9,12-13H2,1-3H3/t17-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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 human cloned vasopressin V2 receptor by cell based beta lactamase assay


Bioorg Med Chem Lett 20: 516-20 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.097
BindingDB Entry DOI: 10.7270/Q2MS3SWF
More data for this
Ligand-Target Pair