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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 = 'BDBM260308'   
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))
BDBM260308
PNG
(US9522914, C-19)
Show SMILES CC(C)NC(=O)Cn1c(cn(-c2ccc(CCN3CCOCC3)cc2)c1=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C26H31ClN4O3/c1-19(2)28-25(32)18-31-24(21-4-3-5-22(27)16-21)17-30(26(31)33)23-8-6-20(7-9-23)10-11-29-12-14-34-15-13-29/h3-9,16-17,19H,10-15,18H2,1-2H3,(H,28,32)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.20n/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))
BDBM260308
PNG
(US9522914, C-19)
Show SMILES CC(C)NC(=O)Cn1c(cn(-c2ccc(CCN3CCOCC3)cc2)c1=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C26H31ClN4O3/c1-19(2)28-25(32)18-31-24(21-4-3-5-22(27)16-21)17-30(26(31)33)23-8-6-20(7-9-23)10-11-29-12-14-34-15-13-29/h3-9,16-17,19H,10-15,18H2,1-2H3,(H,28,32)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.20n/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