Reaction Details |
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Target | Cathepsin K |
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Ligand | BDBM25141 |
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Substrate/Competitor | BDBM19485 |
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Meas. Tech. | Enzyme Inhibition Assay |
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pH | 7±n/a |
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Temperature | 295.15±n/a K |
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IC50 | >10000±n/a nM |
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Citation | Irie, O; Kosaka, T; Ehara, T; Yokokawa, F; Kanazawa, T; Hirao, H; Iwasaki, A; Sakaki, J; Teno, N; Hitomi, Y; Iwasaki, G; Fukaya, H; Nonomura, K; Tanabe, K; Koizumi, S; Uchiyama, N; Bevan, SJ; Malcangio, M; Gentry, C; Fox, AJ; Yaqoob, M; Culshaw, AJ Discovery of orally bioavailable cathepsin S inhibitors for the reversal of neuropathic pain. J Med Chem51:5502-5 (2008) [PubMed] Article |
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More Info.: | Get all data from this article, Inhibition_Run data, Solution Info, Assay Method |
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Cathepsin K |
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Name: | Cathepsin K |
Synonyms: | CATK_RAT | Ctsk |
Type: | PROTEIN |
Mol. Mass.: | 36798.82 |
Organism: | Rattus norvegicus |
Description: | ChEMBL_633322 |
Residue: | 329 |
Sequence: | MWVFKFLLLPVVSFALSPEETLDTQWELWKKTHGKQYNSKVDEISRRLIWEKNLKKISVH
NLEASLGAHTYELAMNHLGDMTSEEVVQKMTGLRVPPSRSFSNDTLYTPEWEGRVPDSID
YRKKGYVTPVKNQGQCGSCWAFSSAGALEGQLKKKTGKLLALSPQNLVDCVSENYGCGGG
YMTTAFQYVQQNGGIDSEDAYPYVGQDESCMYNATAKAAKCRGYREIPVGNEKALKRAVA
RVGPVSVSIDASLTSFQFYSRGVYYDENCDRDNVNHAVLVVGYGTQKGNKYWIIKNSWGE
SWGNKGYVLLARNKNNACGITNLASFPKM
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BDBM25141 |
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BDBM19485 |
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Name | BDBM25141 |
Synonyms: | 2-cyano-pyrropyrimidine, 7g | 7-[2-(4,4-difluorocyclohexyl)ethyl]-6-[4-(4-acetylpiperazin-1-yl)phenoxymethyl]-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile |
Type | Small organic molecule |
Emp. Form. | C28H32F2N6O2 |
Mol. Mass. | 522.5895 |
SMILES | CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCC(F)(F)CC2)C#N)cc1 |
Structure |
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