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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 = 'BDBM50286239'   
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))		BDBM50286239
PNG
(CHEMBL315927 | [(1S,4R,5R)-11-((S)-Isobutyl)-14-((...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](Cc2cccc3ccccc23)NC1=O)C(C)C
Show InChI InChI=1S/C33H43N5O7/c1-18(2)15-23-29(41)34-24(16-21-11-7-10-20-9-5-6-12-22(20)21)30(42)36-25(17-27(39)40)33(45)38-14-8-13-26(38)31(43)37-28(19(3)4)32(44)35-23/h5-7,9-12,18-19,23-26,28H,8,13-17H2,1-4H3,(H,34,41)(H,35,44)(H,36,42)(H,37,43)(H,39,40)/t23-,24+,25+,26-,28+/m0/s1
PDB

UniProtKB/SwissProt

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PC sid
UniChem

Similars
Article
 224n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity against ET A receptor

Bioorg Med Chem Lett 5: 253-258 (1995)


Article DOI: 10.1016/0960-894X(95)00019-P
BindingDB Entry DOI: 10.7270/Q2X067JB
More data for this
Ligand-Target Pair