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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50286799'   
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-1 receptor


(Homo sapiens (Human))
BDBM50286799
PNG
(6-[(R)-2-{(S)-2-[(Azepane-1-carbonyl)-amino]-4-met...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)NCCCCCC(O)=O
Show InChI InChI=1S/C31H47N5O5/c1-22(2)19-25(34-31(41)36-17-11-4-5-12-18-36)30(40)33-26(29(39)32-16-10-6-7-15-28(37)38)20-23-21-35(3)27-14-9-8-13-24(23)27/h8-9,13-14,21-22,25-26H,4-7,10-12,15-20H2,1-3H3,(H,32,39)(H,33,40)(H,34,41)(H,37,38)/t25-,26+/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
n/an/a>3.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against ETA receptor from dog spleen membranes using [125I]-ET1 as radioligand.


Bioorg Med Chem Lett 5: 917-922 (1995)


Article DOI: 10.1016/0960-894X(95)00144-I
BindingDB Entry DOI: 10.7270/Q28S4PWG
More data for this
Ligand-Target Pair