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SMILES: COc1cccc(c1)-n1c(CC(=O)NC(C)(C)C)nn(-c2ccc(CCN3CCOCC3)cc2)c1=O

InChI Key: InChIKey=AIHMWLQZTFEDRQ-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 = 260317   
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))
BDBM260317
PNG
(US9522914, D-06)
Show SMILES COc1cccc(c1)-n1c(CC(=O)NC(C)(C)C)nn(-c2ccc(CCN3CCOCC3)cc2)c1=O
Show InChI InChI=1S/C27H35N5O4/c1-27(2,3)28-25(33)19-24-29-32(26(34)31(24)22-6-5-7-23(18-22)35-4)21-10-8-20(9-11-21)12-13-30-14-16-36-17-15-30/h5-11,18H,12-17,19H2,1-4H3,(H,28,33)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.60n/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))
BDBM260317
PNG
(US9522914, D-06)
Show SMILES COc1cccc(c1)-n1c(CC(=O)NC(C)(C)C)nn(-c2ccc(CCN3CCOCC3)cc2)c1=O
Show InChI InChI=1S/C27H35N5O4/c1-27(2,3)28-25(33)19-24-29-32(26(34)31(24)22-6-5-7-23(18-22)35-4)21-10-8-20(9-11-21)12-13-30-14-16-36-17-15-30/h5-11,18H,12-17,19H2,1-4H3,(H,28,33)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.60n/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