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BDBM50068736 2'-Hydroxy-4'-isobutyl-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide::CHEMBL422851

SMILES: CC(C)Cc1ccc(c(O)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C

InChI Key: InChIKey=PEIJQOZFRKLCAI-UHFFFAOYSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50068736   
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
EDNRA


(RAT)
BDBM50068736
PNG
(2'-Hydroxy-4'-isobutyl-biphenyl-2-sulfonic acid (3...)
Show SMILES CC(C)Cc1ccc(c(O)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C21H24N2O4S/c1-13(2)11-16-9-10-17(19(24)12-16)18-7-5-6-8-20(18)28(25,26)23-21-14(3)15(4)22-27-21/h5-10,12-13,23-24H,11H2,1-4H3
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
8n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)


Article DOI: 10.1021/jm970872k
BindingDB Entry DOI: 10.7270/Q2J9672R
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50068736
PNG
(2'-Hydroxy-4'-isobutyl-biphenyl-2-sulfonic acid (3...)
Show SMILES CC(C)Cc1ccc(c(O)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C21H24N2O4S/c1-13(2)11-16-9-10-17(19(24)12-16)18-7-5-6-8-20(18)28(25,26)23-21-14(3)15(4)22-27-21/h5-10,12-13,23-24H,11H2,1-4H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
9.80E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]-ET-1 to membranes prepared from A10 rat cerebellum (Endothelin B receptor)


J Med Chem 41: 5198-218 (1999)


Article DOI: 10.1021/jm970872k
BindingDB Entry DOI: 10.7270/Q2J9672R
More data for this
Ligand-Target Pair