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BDBM50406173 CHEMBL410838

SMILES: CCOc1ccc(C[C@@H](NC(=O)Cc2ccccc2)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

InChI Key: InChIKey=LYFCQFCFMNYSKF-MNAHPMOWSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50406173   
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


(Rattus norvegicus (Rat))
BDBM50406173
PNG
(CHEMBL410838)
Show SMILES CCOc1ccc(C[C@@H](NC(=O)Cc2ccccc2)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/C58H84N16O11/c1-4-85-39-25-23-38(24-26-39)32-42(68-47(76)33-37-17-9-6-10-18-37)53(81)71-43(31-36-15-7-5-8-16-36)54(82)73-49(35(2)3)56(84)72-44(34-46(59)75)51(79)65-27-13-22-48(77)74-30-14-21-45(74)55(83)70-41(20-12-29-67-58(63)64)52(80)69-40(50(60)78)19-11-28-66-57(61)62/h5-10,15-18,23-26,35,40-45,49H,4,11-14,19-22,27-34H2,1-3H3,(H2,59,75)(H2,60,78)(H,65,79)(H,68,76)(H,69,80)(H,70,83)(H,71,81)(H,72,84)(H,73,82)(H4,61,62,66)(H4,63,64,67)/t40-,41-,42+,43-,44-,45+,49-/m0/s1
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PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 10.2n/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