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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 = 'BDBM50286794'   
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))		BDBM50286794
PNG
(2-{[(R)-2-{(S)-2-[(Azepane-1-carbonyl)-amino]-4-me...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)NCc1nc(cs1)C(O)=O
Show InChI InChI=1S/C30H40N6O5S/c1-19(2)14-22(34-30(41)36-12-8-4-5-9-13-36)28(38)33-23(15-20-17-35(3)25-11-7-6-10-21(20)25)27(37)31-16-26-32-24(18-42-26)29(39)40/h6-7,10-11,17-19,22-23H,4-5,8-9,12-16H2,1-3H3,(H,31,37)(H,33,38)(H,34,41)(H,39,40)/t22-,23+/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
n/an/a 1.10E+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