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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 = 'BDBM50106410'   
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))		BDBM50106410
PNG
(1-Dibutylcarbamoylmethyl-4-(2,3-dihydro-benzo[1,4]...)
Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(CC)c(F)c1)C(O)=O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C31H41FN2O5/c1-4-7-13-33(14-8-5-2)28(35)20-34-19-24(22-11-12-26-27(18-22)39-16-15-38-26)29(31(36)37)30(34)23-10-9-21(6-3)25(32)17-23/h9-12,17-18,24,29-30H,4-8,13-16,19-20H2,1-3H3,(H,36,37)/t24-,29-,30+/m1/s1
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PC sid
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PubMed
n/an/a 950n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human endothelin B receptor in CHO cells

J Med Chem 44: 3978-84 (2001)


BindingDB Entry DOI: 10.7270/Q2JS9PR2
More data for this
Ligand-Target Pair