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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50080623   
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))
BDBM50080623
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,2-dimethy...)
Show SMILES CC(C)OCCOc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(c1ccccc1)C(C)(C)C)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C36H44N2O7/c1-23(2)42-17-18-43-27-14-11-24(12-15-27)33-32(35(40)41)28(26-13-16-29-30(19-26)45-22-44-29)20-38(33)21-31(39)37-34(36(3,4)5)25-9-7-6-8-10-25/h6-16,19,23,28,32-34H,17-18,20-22H2,1-5H3,(H,37,39)(H,40,41)/t28-,32-,33+,34?/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.710n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125 I]ET-3 from the human Endothelin B receptor


J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50080623
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,2-dimethy...)
Show SMILES CC(C)OCCOc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(c1ccccc1)C(C)(C)C)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C36H44N2O7/c1-23(2)42-17-18-43-27-14-11-24(12-15-27)33-32(35(40)41)28(26-13-16-29-30(19-26)45-22-44-29)20-38(33)21-31(39)37-34(36(3,4)5)25-9-7-6-8-10-25/h6-16,19,23,28,32-34H,17-18,20-22H2,1-5H3,(H,37,39)(H,40,41)/t28-,32-,33+,34?/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 322n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding ability determined by the displacement of [125I]-ET-1 from the human endothelin A receptor


J Med Chem 42: 3679-89 (1999)


Article DOI: 10.1021/jm990171i
BindingDB Entry DOI: 10.7270/Q2125RVT
More data for this
Ligand-Target Pair