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BDBM50071426 CHEMBL73835::N-[(R)-1-[1-(Butane-1-sulfonylaminocarbonyl)-propylcarbamoyl]-2-(4-isoxazol-5-yl-phenyl)-ethyl]-3,5,N-trimethyl-benzamide

SMILES: CCCCS(=O)(=O)NC(=O)C(CC)NC(=O)[C@@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1

InChI Key: InChIKey=MWHGEJXLFJLVHX-FXDYGKIASA-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 = 50071426   
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
EDNRB


(Homo sapiens (Human))
BDBM50071426
PNG
(CHEMBL73835 | N-[(R)-1-[1-(Butane-1-sulfonylaminoc...)
Show SMILES CCCCS(=O)(=O)NC(=O)C(CC)NC(=O)[C@@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C30H38N4O6S/c1-6-8-15-41(38,39)33-28(35)25(7-2)32-29(36)26(34(5)30(37)24-17-20(3)16-21(4)18-24)19-22-9-11-23(12-10-22)27-13-14-31-40-27/h9-14,16-18,25-26H,6-8,15,19H2,1-5H3,(H,32,36)(H,33,35)/t25?,26-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.700n/an/an/an/an/an/an/an/a



Takarazuka Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to Endothelin B receptor


Bioorg Med Chem Lett 8: 2241-6 (1999)


BindingDB Entry DOI: 10.7270/Q2BC3XQ7
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50071426
PNG
(CHEMBL73835 | N-[(R)-1-[1-(Butane-1-sulfonylaminoc...)
Show SMILES CCCCS(=O)(=O)NC(=O)C(CC)NC(=O)[C@@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C30H38N4O6S/c1-6-8-15-41(38,39)33-28(35)25(7-2)32-29(36)26(34(5)30(37)24-17-20(3)16-21(4)18-24)19-22-9-11-23(12-10-22)27-13-14-31-40-27/h9-14,16-18,25-26H,6-8,15,19H2,1-5H3,(H,32,36)(H,33,35)/t25?,26-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
5.5n/an/an/an/an/an/an/an/a



Takarazuka Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to Endothelin A receptor


Bioorg Med Chem Lett 8: 2241-6 (1999)


BindingDB Entry DOI: 10.7270/Q2BC3XQ7
More data for this
Ligand-Target Pair