Ki Summary

Reaction Details

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Target

B1 bradykinin receptor

Ligand

BDBM50381273

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_814371 (CHEMBL2019580)

IC50

43±n/a nM

Citation

Eles, J; Beke, G; Vágó, I; Bozó, E; Huszár, J; Tarcsay, A; Kolok, S; Schmidt, E; Vastag, M; Hornok, K; Farkas, S; Domány, G; Keseru, GM Quinolinyl- and phenantridinyl-acetamides as bradykinin B1 receptor antagonists. Bioorg Med Chem Lett22:3095-9 (2012) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

B1 bradykinin receptor

Name:

B1 bradykinin receptor

Synonyms:

Type:

Enzyme Catalytic Domain

Mol. Mass.:

38389.97

Organism:

RAT

Description:

B1 BRADYKININ BDKRB1 RAT::P97583

Residue:

337

Sequence:

MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSF
FLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLC
RVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSI
PTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLR
GQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEIT
DLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL

BDBM50381273

n/a

Name

BDBM50381273

Synonyms:

CHEMBL2018874

Type

Small organic molecule

Emp. Form.

C34H39Cl2N3O4S

Mol. Mass.

656.662

SMILES

COc1cccc2C(CC(=O)N[C@H]3CC[C@H](CCN4CCCC4)CC3)N(c3ccccc3-c12)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |r,wU:12.11,wD:15.15,(21.69,-37.95,;21.69,-39.49,;23.03,-40.25,;24.36,-39.47,;25.71,-40.24,;25.71,-41.79,;24.38,-42.56,;24.39,-44.11,;25.72,-44.87,;27.05,-44.1,;27.05,-42.56,;28.39,-44.87,;29.72,-44.09,;29.7,-42.56,;31.04,-41.79,;32.38,-42.56,;33.71,-41.79,;35.05,-42.56,;36.27,-41.63,;37.75,-42.06,;38.62,-40.8,;37.69,-39.57,;36.24,-40.08,;32.38,-44.1,;31.05,-44.86,;23.05,-44.88,;21.71,-44.12,;20.38,-44.89,;19.04,-44.12,;19.04,-42.58,;20.37,-41.81,;21.71,-42.57,;23.04,-41.79,;23.05,-46.42,;24.54,-46.02,;24.14,-47.51,;21.72,-47.2,;21.73,-48.73,;20.41,-49.51,;19.06,-48.74,;17.73,-49.51,;19.06,-47.2,;17.72,-46.43,;20.39,-46.43,)|

Structure