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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50395641   
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-1 receptor


(Homo sapiens (Human))
BDBM50395641
PNG
(CHEMBL2163725)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)NCc2ccccc2)nc(nc1OCCOc1ncc(Br)cn1)N1CCOCC1
Show InChI InChI=1S/C28H30BrN7O7S/c1-39-22-9-5-6-10-23(22)43-24-25(35-44(37,38)32-17-20-7-3-2-4-8-20)33-27(36-11-13-40-14-12-36)34-26(24)41-15-16-42-28-30-18-21(29)19-31-28/h2-10,18-19,32H,11-17H2,1H3,(H,33,34,35)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Displacement of [I125]ET1 from recombinant ETA receptor expressed in CHO cells after 2 hrs by TopCount analysis


J Med Chem 55: 7849-61 (2012)


Article DOI: 10.1021/jm3009103
BindingDB Entry DOI: 10.7270/Q21C1XZT
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))
BDBM50395641
PNG
(CHEMBL2163725)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)NCc2ccccc2)nc(nc1OCCOc1ncc(Br)cn1)N1CCOCC1
Show InChI InChI=1S/C28H30BrN7O7S/c1-39-22-9-5-6-10-23(22)43-24-25(35-44(37,38)32-17-20-7-3-2-4-8-20)33-27(36-11-13-40-14-12-36)34-26(24)41-15-16-42-28-30-18-21(29)19-31-28/h2-10,18-19,32H,11-17H2,1H3,(H,33,34,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 192n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Displacement of [I125]ET1 from recombinant ETB receptor expressed in CHO cells after 2 hrs by TopCount analysis


J Med Chem 55: 7849-61 (2012)


Article DOI: 10.1021/jm3009103
BindingDB Entry DOI: 10.7270/Q21C1XZT
More data for this
Ligand-Target Pair