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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 = 'BDBM192460'   
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))
BDBM192460
PNG
(US9187466, 83 | US9687476, 83)
Show SMILES O[C@@H](Cn1c(nn(Cc2cnc(o2)-c2cccc(Cl)c2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H14Cl3F3N4O3/c22-12-6-4-11(5-7-12)18-29-31(20(33)30(18)10-16(32)21(25,26)27)9-13-8-28-19(34-13)14-2-1-3-15(23)17(14)24/h1-8,16,32H,9-10H2/t16-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 67n/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))
BDBM192460
PNG
(US9187466, 83 | US9687476, 83)
Show SMILES O[C@@H](Cn1c(nn(Cc2cnc(o2)-c2cccc(Cl)c2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H14Cl3F3N4O3/c22-12-6-4-11(5-7-12)18-29-31(20(33)30(18)10-16(32)21(25,26)27)9-13-8-28-19(34-13)14-2-1-3-15(23)17(14)24/h1-8,16,32H,9-10H2/t16-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 67n/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