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SMILES: COC(=O)Cn1nc(nc1Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)-c1ccccc1Cl

InChI Key: InChIKey=GDIIZZKPPFKLLK-KRWDZBQOSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 466533   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM466533
PNG
(US10800746, Example WO 2011/104322 56)
Show SMILES COC(=O)Cn1nc(nc1Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)-c1ccccc1Cl |r|
Show InChI InChI=1S/C23H19Cl2F3N6O4/c1-38-19(36)12-33-18(29-20(30-33)15-4-2-3-5-16(15)25)11-34-22(37)32(10-17(35)23(26,27)28)21(31-34)13-6-8-14(24)9-7-13/h2-9,17,35H,10-12H2,1H3/t17-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.70n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The identification of agonists and antagonists of the V1a and V2 vasopressin receptors from humans, rats and dogs as well as the quantification of th...


US Patent US10800746 (2020)

More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM466533
PNG
(US10800746, Example WO 2011/104322 56)
Show SMILES COC(=O)Cn1nc(nc1Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)-c1ccccc1Cl |r|
Show InChI InChI=1S/C23H19Cl2F3N6O4/c1-38-19(36)12-33-18(29-20(30-33)15-4-2-3-5-16(15)25)11-34-22(37)32(10-17(35)23(26,27)28)21(31-34)13-6-8-14(24)9-7-13/h2-9,17,35H,10-12H2,1H3/t17-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.30n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The identification of agonists and antagonists of the V1a and V2 vasopressin receptors from humans, rats and dogs as well as the quantification of th...


US Patent US10800746 (2020)

More data for this
Ligand-Target Pair