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BDBM50122679 CHEMBL29775::N-[2'-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-4-oxazol-2-yl-biphenyl-2-ylmethyl]-N-isopropyl-acetamide

SMILES: CC(C)N(Cc1cc(ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)-c1ncco1)C(C)=O

InChI Key: InChIKey=JXDROKHYBYCLBZ-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 = 50122679   
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))
BDBM50122679
PNG
(CHEMBL29775 | N-[2'-(3,4-Dimethyl-isoxazol-5-ylsul...)
Show SMILES CC(C)N(Cc1cc(ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)-c1ncco1)C(C)=O
Show InChI InChI=1S/C26H28N4O5S/c1-16(2)30(19(5)31)15-21-14-20(26-27-12-13-34-26)10-11-22(21)23-8-6-7-9-24(23)36(32,33)29-25-17(3)18(4)28-35-25/h6-14,16,29H,15H2,1-5H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.400n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human endothelin A receptor expressed in CHO cells


J Med Chem 46: 125-37 (2002)


Article DOI: 10.1021/jm020289q
BindingDB Entry DOI: 10.7270/Q2348M3R
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50122679
PNG
(CHEMBL29775 | N-[2'-(3,4-Dimethyl-isoxazol-5-ylsul...)
Show SMILES CC(C)N(Cc1cc(ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)-c1ncco1)C(C)=O
Show InChI InChI=1S/C26H28N4O5S/c1-16(2)30(19(5)31)15-21-14-20(26-27-12-13-34-26)10-11-22(21)23-8-6-7-9-24(23)36(32,33)29-25-17(3)18(4)28-35-25/h6-14,16,29H,15H2,1-5H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.70E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human endothelin B receptor expressed in CHO cells


J Med Chem 46: 125-37 (2002)


Article DOI: 10.1021/jm020289q
BindingDB Entry DOI: 10.7270/Q2348M3R
More data for this
Ligand-Target Pair