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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vasopressin V2 Receptor' and Ligand = 'BDBM50406178'   
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


(Rattus norvegicus (Rat))
BDBM50406178
PNG
(CHEMBL408038)
Show SMILES CCOc1ccc(C[C@@H](NC(=O)CC23C[C@H]4C[C@H](C[C@H](C4)C2)C3)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCCCC(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)cc1
Show InChI InChI=1S/C62H94N16O11/c1-4-89-42-20-18-38(19-21-42)30-45(72-50(80)35-62-32-39-26-40(33-62)28-41(27-39)34-62)56(85)75-46(29-37-12-6-5-7-13-37)57(86)77-52(36(2)3)59(88)76-47(31-49(63)79)54(83)69-22-10-17-51(81)78-25-11-16-48(78)58(87)74-44(15-9-24-71-61(67)68)55(84)73-43(53(64)82)14-8-23-70-60(65)66/h5-7,12-13,18-21,36,39-41,43-48,52H,4,8-11,14-17,22-35H2,1-3H3,(H2,63,79)(H2,64,82)(H,69,83)(H,72,80)(H,73,84)(H,74,87)(H,75,85)(H,76,88)(H,77,86)(H4,65,66,70)(H4,67,68,71)/t39-,40+,41-,43-,44-,45+,46-,47-,48+,52-,62?/m0/s1
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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 7.76n/an/an/an/an/a



Medical College of Ohio

Curated by ChEMBL


Assay Description
Vasopressin V2 receptor antagonistic activity in vivo in anesthetized rats


Citation and Details
More data for this
Ligand-Target Pair