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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin receptor ET-A' and Monomerid = 50281575   
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
Endothelin receptor ET-A


(Mus musculus)
BDBM50281575
PNG
((S)-3-[(S)-2-((R)-2-Acetylamino-3-phenyl-propionyl...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)[C@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C47H59N7O11/c1-6-26(3)40(45(62)52-38(47(64)65)23-31-25-48-34-16-12-11-15-33(31)34)54-46(63)41(27(4)7-2)53-44(61)37(24-39(57)58)51-43(60)36(22-30-17-19-32(56)20-18-30)50-42(59)35(49-28(5)55)21-29-13-9-8-10-14-29/h8-20,25-27,35-38,40-41,48,56H,6-7,21-24H2,1-5H3,(H,49,55)(H,50,59)(H,51,60)(H,52,62)(H,53,61)(H,54,63)(H,57,58)(H,64,65)/t26-,27-,35-,36+,37+,38+,40+,41+/m1/s1
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PC cid
PC sid
UniChem

Similars

Article
n/an/a 77n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 binding to Endothelin A receptor of murine 3T3 cells


Bioorg Med Chem Lett 3: 519-524 (1993)


Article DOI: 10.1016/S0960-894X(01)81219-1
BindingDB Entry DOI: 10.7270/Q27081C5
More data for this
Ligand-Target Pair