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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 = 'BDBM50080590'   
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))		BDBM50080590
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(4-carboxy-2...)
Show SMILES CCc1cc(cc(CC)c1NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C32H34N2O8/c1-4-18-12-22(31(36)37)13-19(5-2)29(18)33-27(35)16-34-15-24(21-8-11-25-26(14-21)42-17-41-25)28(32(38)39)30(34)20-6-9-23(40-3)10-7-20/h6-14,24,28,30H,4-5,15-17H2,1-3H3,(H,33,35)(H,36,37)(H,38,39)/t24-,28-,30+/m1/s1
PDB

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PC sid
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Similars
Article
PubMed
n/an/a 44n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin B receptor (hET -B)

J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair