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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for UniProtKB: P25101   
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
Endothelin receptor type B/1 receptor


(Homo sapiens (Human))		BDBM50000564
PNG
(2-[2-{[2-(Cyclohexanecarbonyl-amino)-4-methyl-pent...)
Show SMILES CC(C)C[C@@H](NC(=O)C1CCCCC1)C(=O)N(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccn1)C(O)=O
Show InChI InChI=1S/C33H43N5O5/c1-21(2)17-27(36-30(39)22-11-5-4-6-12-22)32(41)38(3)29(18-23-20-35-26-15-8-7-14-25(23)26)31(40)37-28(33(42)43)19-24-13-9-10-16-34-24/h7-10,13-16,20-22,27-29,35H,4-6,11-12,17-19H2,1-3H3,(H,36,39)(H,37,40)(H,42,43)/t27-,28-,29+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2.30E+5n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity to Endothelin A receptor in the rat atrium

J Med Chem 35: 1493-508 (1992)


BindingDB Entry DOI: 10.7270/Q27M08KX
More data for this
Ligand-Target Pair