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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Vasopressin V2 receptor' and Ligand = 'BDBM192462'   
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 V2 receptor


(Homo sapiens (Human))
BDBM192462
PNG
(US9187466, 85 | US9687476, 85)
Show SMILES FC(F)(F)c1cccc(Cc2cnc(Cn3nc(-c4ccc(Cl)cc4)n(C4CC4)c3=O)[nH]2)c1
Show InChI InChI=1S/C23H19ClF3N5O/c24-17-6-4-15(5-7-17)21-30-31(22(33)32(21)19-8-9-19)13-20-28-12-18(29-20)11-14-2-1-3-16(10-14)23(25,26)27/h1-7,10,12,19H,8-9,11,13H2,(H,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.70E+3n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...


US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM192462
PNG
(US9187466, 85 | US9687476, 85)
Show SMILES FC(F)(F)c1cccc(Cc2cnc(Cn3nc(-c4ccc(Cl)cc4)n(C4CC4)c3=O)[nH]2)c1
Show InChI InChI=1S/C23H19ClF3N5O/c24-17-6-4-15(5-7-17)21-30-31(22(33)32(21)19-8-9-19)13-20-28-12-18(29-20)11-14-2-1-3-16(10-14)23(25,26)27/h1-7,10,12,19H,8-9,11,13H2,(H,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.70E+3n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...


US Patent US9187466 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02MT
More data for this
Ligand-Target Pair