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SMILES: COc1cc(ccc1F)-n1c(CC(=O)NC(C)C)nn(-c2ccc(CCN3C4CCC3COC4)c(OC)c2)c1=O

InChI Key: InChIKey=HSDAYXSNFHNFFB-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 = 260352   
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))
BDBM260352
PNG
(US9522914, D-41)
Show SMILES COc1cc(ccc1F)-n1c(CC(=O)NC(C)C)nn(-c2ccc(CCN3C4CCC3COC4)c(OC)c2)c1=O
Show InChI InChI=1S/C29H36FN5O5/c1-18(2)31-28(36)15-27-32-35(29(37)34(27)20-9-10-24(30)26(13-20)39-4)21-6-5-19(25(14-21)38-3)11-12-33-22-7-8-23(33)17-40-16-22/h5-6,9-10,13-14,18,22-23H,7-8,11-12,15-17H2,1-4H3,(H,31,36)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.70n/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))
BDBM260352
PNG
(US9522914, D-41)
Show SMILES COc1cc(ccc1F)-n1c(CC(=O)NC(C)C)nn(-c2ccc(CCN3C4CCC3COC4)c(OC)c2)c1=O
Show InChI InChI=1S/C29H36FN5O5/c1-18(2)31-28(36)15-27-32-35(29(37)34(27)20-9-10-24(30)26(13-20)39-4)21-6-5-19(25(14-21)38-3)11-12-33-22-7-8-23(33)17-40-16-22/h5-6,9-10,13-14,18,22-23H,7-8,11-12,15-17H2,1-4H3,(H,31,36)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.70n/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