Ki Summary

Reaction Details

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Target

Aquaporin-1

Ligand

BDBM94509

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2271918

EC50

48000±n/a nM

Citation

Titko, T; Perekhoda, L; Drapak, I; Tsapko, Y Modern trends in diuretics development. Eur J Med Chem208:0 (2020) [PubMed]

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Get all data from this article, Assay Method

Aquaporin-1

Name:

Aquaporin-1

Synonyms:

AQP1 | AQP1_HUMAN | Aquaporin-1 (AQP1) | CHIP28

Type:

Protein

Mol. Mass.:

28528.18

Organism:

Homo sapiens (Human)

Description:

n/a

Residue:

269

Sequence:

MASEFKKKLFWRAVVAEFLATTLFVFISIGSALGFKYPVGNNQTAVQDNVKVSLAFGLSI
ATLAQSVGHISGAHLNPAVTLGLLLSCQISIFRALMYIIAQCVGAIVATAILSGITSSLT
GNSLGRNDLADGVNSGQGLGIEIIGTLQLVLCVLATTDRRRRDLGGSAPLAIGLSVALGH
LLAIDYTGCGINPARSFGSAVITHNFSNHWIFWVGPFIGGALAVLIYDFILAPRSSDLTD
RVKVWTSGQVEEYDLDADDINSRVEMKPK

BDBM94509

n/a

Name

BDBM94509

Synonyms:

(E)-2-butenedioic acid;2-[4-tert-butyl-1-[(4-fluorophenyl)methyl]cyclohexyl]oxy-N,N-dimethylethanamine | (E)-but-2-enedioic acid;2-[4-tert-butyl-1-[(4-fluorophenyl)methyl]cyclohexyl]oxy-N,N-dimethyl-ethanamine | (E)-but-2-enedioic acid;2-[4-tert-butyl-1-[(4-fluorophenyl)methyl]cyclohexyl]oxy-N,N-dimethylethanamine | 2-[4-tert-butyl-1-(4-fluorobenzyl)cyclohexoxy]ethyl-dimethyl-amine;fumaric acid | MLS002702223 | SMR001565786 | cid_5351427

Type

Small organic molecule

Emp. Form.

C21H34FNO

Mol. Mass.

335.4992

SMILES

CN(C)CCOC1(Cc2ccc(F)cc2)CCC(CC1)C(C)(C)C |(.83,11.12,;1.6,9.78,;.83,8.45,;3.14,9.78,;3.91,8.45,;5.45,8.45,;6.22,7.11,;6.99,8.45,;8.53,8.45,;9.3,7.11,;10.84,7.11,;11.61,8.45,;13.15,8.45,;10.84,9.78,;9.3,9.78,;7.55,6.34,;7.55,4.8,;6.22,4.03,;4.88,4.8,;4.88,6.34,;6.22,2.49,;6.22,.95,;4.68,2.49,;7.76,2.49,)|

Structure