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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 = 'BDBM50071444'   
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))		BDBM50071444
PNG
(CHEMBL307045 | N-[(R)-1-[1-(Butane-1-sulfonylamino...)
Show SMILES CCCCS(=O)(=O)NC(=O)C(CCSC)NC(=O)[C@@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C31H40N4O6S2/c1-6-7-16-43(39,40)34-29(36)26(13-15-42-5)33-30(37)27(35(4)31(38)25-18-21(2)17-22(3)19-25)20-23-8-10-24(11-9-23)28-12-14-32-41-28/h8-12,14,17-19,26-27H,6-7,13,15-16,20H2,1-5H3,(H,33,37)(H,34,36)/t26?,27-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

Similars
PubMed
 0.490n/an/an/an/an/an/an/an/a



Takarazuka Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to Endothelin B receptor

Bioorg Med Chem Lett 8: 2241-6 (1999)


BindingDB Entry DOI: 10.7270/Q2BC3XQ7
More data for this
Ligand-Target Pair