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SMILES: COc1cc(ccc1F)-c1nc(cn1CC(=O)NC(C)C)-c1ccc(CCN2CCOCC2)cc1

InChI Key: InChIKey=WNYCTDAMNKAEHX-UHFFFAOYSA-N

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 = 260208   
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
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM260208
PNG
(US9522914, A-10)
Show SMILES COc1cc(ccc1F)-c1nc(cn1CC(=O)NC(C)C)-c1ccc(CCN2CCOCC2)cc1
Show InChI InChI=1S/C27H33FN4O3/c1-19(2)29-26(33)18-32-17-24(30-27(32)22-8-9-23(28)25(16-22)34-3)21-6-4-20(5-7-21)10-11-31-12-14-35-15-13-31/h4-9,16-17,19H,10-15,18H2,1-3H3,(H,29,33)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.70n/an/an/an/a7.425



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...


US Patent US9522914 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6PR7
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM260208
PNG
(US9522914, A-10)
Show SMILES COc1cc(ccc1F)-c1nc(cn1CC(=O)NC(C)C)-c1ccc(CCN2CCOCC2)cc1
Show InChI InChI=1S/C27H33FN4O3/c1-19(2)29-26(33)18-32-17-24(30-27(32)22-8-9-23(28)25(16-22)34-3)21-6-4-20(5-7-21)10-11-31-12-14-35-15-13-31/h4-9,16-17,19H,10-15,18H2,1-3H3,(H,29,33)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.70n/an/an/an/a7.44



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...


US Patent US9522914 (2016)


BindingDB Entry DOI: 10.7270/Q2WM1CB9
More data for this
Ligand-Target Pair