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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Vasopressin V1b receptor' and Ligand = 'BDBM260267'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM260267
PNG
(US9522914, B-20)
Show SMILES COc1cccc(c1)-c1nc(nn1CC(=O)NC(C)C)-c1ccc(CC(C)N2C3CCC2COC3)cc1
Show InChI InChI=1S/C29H37N5O3/c1-19(2)30-27(35)16-33-29(23-6-5-7-26(15-23)36-4)31-28(32-33)22-10-8-21(9-11-22)14-20(3)34-24-12-13-25(34)18-37-17-24/h5-11,15,19-20,24-25H,12-14,16-18H2,1-4H3,(H,30,35)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.430n/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))
BDBM260267
PNG
(US9522914, B-20)
Show SMILES COc1cccc(c1)-c1nc(nn1CC(=O)NC(C)C)-c1ccc(CC(C)N2C3CCC2COC3)cc1
Show InChI InChI=1S/C29H37N5O3/c1-19(2)30-27(35)16-33-29(23-6-5-7-26(15-23)36-4)31-28(32-33)22-10-8-21(9-11-22)14-20(3)34-24-12-13-25(34)18-37-17-24/h5-11,15,19-20,24-25H,12-14,16-18H2,1-4H3,(H,30,35)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.430n/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