Ki Summary

Reaction Details

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Target

Endothelin-1 receptor

Ligand

BDBM50093978

Substrate/Competitor

n/a

Meas. Tech.

ChEBML_63349

IC50

0.810000±n/a nM

Citation

Zhang, J; Didierlaurent, S; Fortin, M; Lefrançois, D; Uridat, E; Vevert, JP Potent nonpeptide endothelin antagonists: synthesis and structure-activity relationships of pyrazole-5-carboxylic acids. Bioorg Med Chem Lett10:2575-8 (2001) [PubMed]

More Info.:

Get all data from this article, Assay Method

Endothelin-1 receptor

Name:

Endothelin-1 receptor

Synonyms:

EDNRA_RAT | ENDOTHELIN A | Ednra | Endothelin receptor | Endothelin-1 receptor

Type:

Enzyme Catalytic Domain

Mol. Mass.:

48256.91

Organism:

RAT

Description:

ENDOTHELIN A EDNRA RAT::P26684

Residue:

426

Sequence:

MGVLCFLASFWLALVGGAIADNAERYSANLSSHVEDFTPFPGTEFNFLGTTLQPPNLALP
SNGSMHGYCPQQTKITTAFKYINTVISCTIFIVGMVGNATLLRIIYQNKCMRNGPNALIA
SLALGDLIYVVIDLPINVFKLLAGRWPFDHNDFGVFLCKLFPFLQKSSVGITVLNLCALS
VDRYRAVASWSRVQGIGIPLITAIEIVSIWILSFILAIPEAIGFVMVPFEYKGEQHRTCM
LNATTKFMEFYQDVKDWWLFGFYFCMPLVCTAIFYTLMTCEMLNRRNGSLRIALSEHLKQ
RREVAKTVFCLVVIFALCWFPLHLSRILKKTVYDEMDKNRCELLSFLLLMDYIGINLATM
NSCINPIALYFVSKKFKNCFQSCLCCCCHQSKSLMTSVPMNGTSIQWKNQEQNHNTERSS
HKDSMN

BDBM50093978

n/a

Name

BDBM50093978

Synonyms:

2-(4-Carboxy-cyclohexylmethyl)-4-(6-chloro-benzo[1,3]dioxol-5-ylmethyl)-5-thiophen-2-yl-2H-pyrazole-3-carboxylic acid | CHEMBL86965

Type

Small organic molecule

Emp. Form.

C24H23ClN2O6S

Mol. Mass.

502.967

SMILES

OC(=O)C1CCC(Cn2nc(c(Cc3cc4OCOc4cc3Cl)c2C(O)=O)-c2cccs2)CC1 |(3.14,-11.22,;4.56,-11.81,;4.77,-13.34,;5.78,-10.87,;7.2,-11.46,;8.43,-10.52,;8.23,-8.98,;9.53,-8.16,;9.46,-6.62,;8.16,-5.78,;8.57,-4.28,;10.12,-4.21,;10.96,-2.92,;12.48,-2.92,;13.25,-4.24,;14.81,-4.24,;15.84,-5.36,;17.23,-4.73,;17.06,-3.21,;15.56,-2.9,;14.77,-1.57,;13.25,-1.59,;12.46,-.26,;10.66,-5.65,;12.15,-6.06,;12.55,-7.55,;13.25,-4.98,;7.67,-3.04,;8.15,-1.57,;6.9,-.65,;5.66,-1.57,;6.13,-3.04,;6.81,-8.41,;5.58,-9.35,)|

Structure