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BDBM50068700 Biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide::CHEMBL310427

SMILES: Cc1noc(NS(=O)(=O)c2ccccc2-c2ccccc2)c1C

InChI Key: InChIKey=SLBYWDJLJLBXGV-UHFFFAOYSA-N

Data: 2 KI  2 IC50

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 4 hits for monomerid = 50068700   
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)
BDBM50068700
PNG
(Biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccccc2)c1C
Show InChI InChI=1S/C17H16N2O3S/c1-12-13(2)18-22-17(12)19-23(20,21)16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-11,19H,1-2H3
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Article
PubMed
90n/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)
BDBM50068700
PNG
(Biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccccc2)c1C
Show InChI InChI=1S/C17H16N2O3S/c1-12-13(2)18-22-17(12)19-23(20,21)16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-11,19H,1-2H3
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PubMed
>2.00E+5n/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
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50068700
PNG
(Biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccccc2)c1C
Show InChI InChI=1S/C17H16N2O3S/c1-12-13(2)18-22-17(12)19-23(20,21)16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-11,19H,1-2H3
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Article
n/an/a 8.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human ETA receptor in TE 671(ATCC# HTB 139) cell membrane preparation


Bioorg Med Chem Lett 6: 2393-2398 (1996)


Article DOI: 10.1016/0960-894X(96)00441-6
BindingDB Entry DOI: 10.7270/Q22V2G3R
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50068700
PNG
(Biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccccc2)c1C
Show InChI InChI=1S/C17H16N2O3S/c1-12-13(2)18-22-17(12)19-23(20,21)16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-11,19H,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
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Article
n/an/a 5.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human ETB receptor in transfected COS 7 cell membrane preparation


Bioorg Med Chem Lett 6: 2393-2398 (1996)


Article DOI: 10.1016/0960-894X(96)00441-6
BindingDB Entry DOI: 10.7270/Q22V2G3R
More data for this
Ligand-Target Pair