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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin receptor type B' and Ligand = 'BDBM50000740'   
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 type B


(Homo sapiens (Human))		BDBM50000740
PNG
(3-[14-(1H-Indol-3-ylmethyl)-11-isobutyl-8-isopropy...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C
Show InChI InChI=1S/C30H42N6O7/c1-15(2)12-22-28(41)34-23(13-18-14-31-20-9-7-6-8-19(18)20)29(42)33-21(10-11-24(37)38)27(40)32-17(5)26(39)36-25(16(3)4)30(43)35-22/h6-9,14-17,21-23,25,31H,10-13H2,1-5H3,(H,32,40)(H,33,42)(H,34,41)(H,35,43)(H,36,39)(H,37,38)/t17-,21-,22-,23+,25-/m0/s1
PDB

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PC sid
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Similars
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding activity against Endothelin B receptor 0f Porcine cerebellum membranes

J Med Chem 35: 2139-42 (1992)


BindingDB Entry DOI: 10.7270/Q2CR5TZ0
More data for this
Ligand-Target Pair