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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 = 'BDBM50071434'   
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))		BDBM50071434
PNG
(CHEMBL72217 | N-[(R)-1-[1-(Butane-1-sulfonylaminoc...)
Show SMILES CCCCS(=O)(=O)NC(=O)C(CC(C)C)NC(=O)[C@@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C32H42N4O6S/c1-7-8-15-43(40,41)35-30(37)27(16-21(2)3)34-31(38)28(36(6)32(39)26-18-22(4)17-23(5)19-26)20-24-9-11-25(12-10-24)29-13-14-33-42-29/h9-14,17-19,21,27-28H,7-8,15-16,20H2,1-6H3,(H,34,38)(H,35,37)/t27?,28-/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
 1.30n/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