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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 = 'BDBM50080595'   
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))		BDBM50080595
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-dipropy...)
Show SMILES CCCc1cccc(CCC)c1NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C33H38N2O6/c1-4-7-21-9-6-10-22(8-5-2)31(21)34-29(36)19-35-18-26(24-13-16-27-28(17-24)41-20-40-27)30(33(37)38)32(35)23-11-14-25(39-3)15-12-23/h6,9-17,26,30,32H,4-5,7-8,18-20H2,1-3H3,(H,34,36)(H,37,38)/t26-,30-,32+/m1/s1
PDB

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n/an/a 460n/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