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BDBM50071443 CHEMBL308269::N-[(R)-1-[(S)-1-(1H-Indol-3-ylmethyl)-2-oxo-2-phenylmethanesulfonylamino-ethylcarbamoyl]-2-(4-isoxazol-5-yl-phenyl)-ethyl]-3,5,N-trimethyl-benzamide

SMILES: CN([C@H](Cc1ccc(cc1)-c1ccno1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NS(=O)(=O)Cc1ccccc1)C(=O)c1cc(C)cc(C)c1

InChI Key: InChIKey=XRUKXLWYVUMZLF-MPQUPPDSSA-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 = 50071443   
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))
BDBM50071443
PNG
(CHEMBL308269 | N-[(R)-1-[(S)-1-(1H-Indol-3-ylmethy...)
Show SMILES CN([C@H](Cc1ccc(cc1)-c1ccno1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NS(=O)(=O)Cc1ccccc1)C(=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C40H39N5O6S/c1-26-19-27(2)21-31(20-26)40(48)45(3)36(22-28-13-15-30(16-14-28)37-17-18-42-51-37)39(47)43-35(23-32-24-41-34-12-8-7-11-33(32)34)38(46)44-52(49,50)25-29-9-5-4-6-10-29/h4-21,24,35-36,41H,22-23,25H2,1-3H3,(H,43,47)(H,44,46)/t35-,36+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.5n/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))
BDBM50071443
PNG
(CHEMBL308269 | N-[(R)-1-[(S)-1-(1H-Indol-3-ylmethy...)
Show SMILES CN([C@H](Cc1ccc(cc1)-c1ccno1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NS(=O)(=O)Cc1ccccc1)C(=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C40H39N5O6S/c1-26-19-27(2)21-31(20-26)40(48)45(3)36(22-28-13-15-30(16-14-28)37-17-18-42-51-37)39(47)43-35(23-32-24-41-34-12-8-7-11-33(32)34)38(46)44-52(49,50)25-29-9-5-4-6-10-29/h4-21,24,35-36,41H,22-23,25H2,1-3H3,(H,43,47)(H,44,46)/t35-,36+/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
5.40n/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