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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 = 'BDBM260206'   
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))
BDBM260206
PNG
(US9522914, A-08)
Show SMILES CC(C)NC(=O)Cn1cc(nc1-c1cccc(Cl)c1)-c1ccc(CCN2C3CCC2COC3)cc1
Show InChI InChI=1S/C28H33ClN4O2/c1-19(2)30-27(34)16-32-15-26(31-28(32)22-4-3-5-23(29)14-22)21-8-6-20(7-9-21)12-13-33-24-10-11-25(33)18-35-17-24/h3-9,14-15,19,24-25H,10-13,16-18H2,1-2H3,(H,30,34)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.820n/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))
BDBM260206
PNG
(US9522914, A-08)
Show SMILES CC(C)NC(=O)Cn1cc(nc1-c1cccc(Cl)c1)-c1ccc(CCN2C3CCC2COC3)cc1
Show InChI InChI=1S/C28H33ClN4O2/c1-19(2)30-27(34)16-32-15-26(31-28(32)22-4-3-5-23(29)14-22)21-8-6-20(7-9-21)12-13-33-24-10-11-25(33)18-35-17-24/h3-9,14-15,19,24-25H,10-13,16-18H2,1-2H3,(H,30,34)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.820n/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