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BDBM50109671 4'-(4,6-Dimethoxy-pyrimidin-2-yl)-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide::CHEMBL147365

SMILES: COc1cc(OC)nc(n1)-c1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C

InChI Key: InChIKey=PBQXMKQAIAUNQN-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50109671   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50109671
PNG
(4'-(4,6-Dimethoxy-pyrimidin-2-yl)-biphenyl-2-sulfo...)
Show SMILES COc1cc(OC)nc(n1)-c1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C23H22N4O5S/c1-14-15(2)26-32-23(14)27-33(28,29)19-8-6-5-7-18(19)16-9-11-17(12-10-16)22-24-20(30-3)13-21(25-22)31-4/h5-13,27H,1-4H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
220n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells stably expressing human Endothelin A receptor.


Bioorg Med Chem Lett 12: 517-20 (2002)


BindingDB Entry DOI: 10.7270/Q2GF0STQ
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50109671
PNG
(4'-(4,6-Dimethoxy-pyrimidin-2-yl)-biphenyl-2-sulfo...)
Show SMILES COc1cc(OC)nc(n1)-c1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C23H22N4O5S/c1-14-15(2)26-32-23(14)27-33(28,29)19-8-6-5-7-18(19)16-9-11-17(12-10-16)22-24-20(30-3)13-21(25-22)31-4/h5-13,27H,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
4.80E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells stably expressing human Endothelin B receptor.


Bioorg Med Chem Lett 12: 517-20 (2002)


BindingDB Entry DOI: 10.7270/Q2GF0STQ
More data for this
Ligand-Target Pair