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SMILES: COc1cccc(c1)-c1nc(nn1CC(=O)NC(C)(C)C)-c1ccc(CCN2C3CCC2COC3)cn1

InChI Key: InChIKey=PMQMWNGJQFXWLW-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 = 260254   
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))
BDBM260254
PNG
(US9522914, B-07)
Show SMILES COc1cccc(c1)-c1nc(nn1CC(=O)NC(C)(C)C)-c1ccc(CCN2C3CCC2COC3)cn1
Show InChI InChI=1S/C28H36N6O3/c1-28(2,3)31-25(35)16-34-27(20-6-5-7-23(14-20)36-4)30-26(32-34)24-11-8-19(15-29-24)12-13-33-21-9-10-22(33)18-37-17-21/h5-8,11,14-15,21-22H,9-10,12-13,16-18H2,1-4H3,(H,31,35)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.30n/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))
BDBM260254
PNG
(US9522914, B-07)
Show SMILES COc1cccc(c1)-c1nc(nn1CC(=O)NC(C)(C)C)-c1ccc(CCN2C3CCC2COC3)cn1
Show InChI InChI=1S/C28H36N6O3/c1-28(2,3)31-25(35)16-34-27(20-6-5-7-23(14-20)36-4)30-26(32-34)24-11-8-19(15-29-24)12-13-33-21-9-10-22(33)18-37-17-21/h5-8,11,14-15,21-22H,9-10,12-13,16-18H2,1-4H3,(H,31,35)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.30n/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