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BDBM50064740 1-(1-{5-Fluoro-2-methoxy-4-[1-((R)-1-oxy-5,6,7,8-tetrahydro-quinolin-5-yl)-piperidin-4-yloxy]-benzoyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL265070

SMILES: COc1cc(OC2CCN(CC2)[C@@H]2CCCc3c2ccc[n+]3[O-])c(F)cc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12

InChI Key: InChIKey=XMCRJVIWAZBDSM-SSEXGKCCSA-N

Data: 2 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 2 hits for monomerid = 50064740   
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)
BDBM50064740
PNG
(1-(1-{5-Fluoro-2-methoxy-4-[1-((R)-1-oxy-5,6,7,8-t...)
Show SMILES COc1cc(OC2CCN(CC2)[C@@H]2CCCc3c2ccc[n+]3[O-])c(F)cc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C35H39FN4O6/c1-44-32-21-33(46-25-13-18-37(19-14-25)30-9-4-10-31-26(30)7-5-15-39(31)43)28(36)20-27(32)34(41)38-16-11-24(12-17-38)40-29-8-3-2-6-23(29)22-45-35(40)42/h2-3,5-8,15,20-21,24-25,30H,4,9-14,16-19,22H2,1H3/t30-/m1/s1
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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for cloned human oxytocin receptor (OT-R)


J Med Chem 41: 2146-63 (1998)


Article DOI: 10.1021/jm9800797
BindingDB Entry DOI: 10.7270/Q2SN083Z
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50064740
PNG
(1-(1-{5-Fluoro-2-methoxy-4-[1-((R)-1-oxy-5,6,7,8-t...)
Show SMILES COc1cc(OC2CCN(CC2)[C@@H]2CCCc3c2ccc[n+]3[O-])c(F)cc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C35H39FN4O6/c1-44-32-21-33(46-25-13-18-37(19-14-25)30-9-4-10-31-26(30)7-5-15-39(31)43)28(36)20-27(32)34(41)38-16-11-24(12-17-38)40-29-8-3-2-6-23(29)22-45-35(40)42/h2-3,5-8,15,20-21,24-25,30H,4,9-14,16-19,22H2,1H3/t30-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
16n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat oxytocin receptor (OT-R)


J Med Chem 41: 2146-63 (1998)


Article DOI: 10.1021/jm9800797
BindingDB Entry DOI: 10.7270/Q2SN083Z
More data for this
Ligand-Target Pair