| Reaction Details |
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 | Report a problem with these data |
| Target | A disintegrin and metalloproteinase with thrombospondin motifs 1 |
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| Ligand | BDBM50168737 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_860059 (CHEMBL2167995) |
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| IC50 | 79±n/a nM |
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| Citation |  Deng, H; O'Keefe, H; Davie, CP; Lind, KE; Acharya, RA; Franklin, GJ; Larkin, J; Matico, R; Neeb, M; Thompson, MM; Lohr, T; Gross, JW; Centrella, PA; O'Donovan, GK; Bedard, KL; van Vloten, K; Mataruse, S; Skinner, SR; Belyanskaya, SL; Carpenter, TY; Shearer, TW; Clark, MA; Cuozzo, JW; Arico-Muendel, CC; Morgan, BA Discovery of highly potent and selective small molecule ADAMTS-5 inhibitors that inhibit human cartilage degradation via encoded library technology (ELT). J Med Chem55:7061-79 (2012) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| A disintegrin and metalloproteinase with thrombospondin motifs 1 |
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| Name: | A disintegrin and metalloproteinase with thrombospondin motifs 1 |
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| Synonyms: | ADAMTS1 | ATS1_HUMAN | KIAA1346 | METH1 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 105362.16 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_860059 |
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| Residue: | 967 |
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| Sequence: | MQRAVPEGFGRRKLGSDMGNAERAPGSRSFGPVPTLLLLAAALLAVSDALGRPSEEDEEL
VVPELERAPGHGTTRLRLHAFDQQLDLELRPDSSFLAPGFTLQNVGRKSGSETPLPETDL
AHCFYSGTVNGDPSSAAALSLCEGVRGAFYLLGEAYFIQPLPAASERLATAAPGEKPPAP
LQFHLLRRNRQGDVGGTCGVVDDEPRPTGKAETEDEDEGTEGEDEGAQWSPQDPALQGVG
QPTGTGSIRKKRFVSSHRYVETMLVADQSMAEFHGSGLKHYLLTLFSVAARLYKHPSIRN
SVSLVVVKILVIHDEQKGPEVTSNAALTLRNFCNWQKQHNPPSDRDAEHYDTAILFTRQD
LCGSQTCDTLGMADVGTVCDPSRSCSVIEDDGLQAAFTTAHELGHVFNMPHDDAKQCASL
NGVNQDSHMMASMLSNLDHSQPWSPCSAYMITSFLDNGHGECLMDKPQNPIQLPGDLPGT
SYDANRQCQFTFGEDSKHCPDAASTCSTLWCTGTSGGVLVCQTKHFPWADGTSCGEGKWC
INGKCVNKTDRKHFDTPFHGSWGMWGPWGDCSRTCGGGVQYTMRECDNPVPKNGGKYCEG
KRVRYRSCNLEDCPDNNGKTFREEQCEAHNEFSKASFGSGPAVEWIPKYAGVSPKDRCKL
ICQAKGIGYFFVLQPKVVDGTPCSPDSTSVCVQGQCVKAGCDRIIDSKKKFDKCGVCGGN
GSTCKKISGSVTSAKPGYHDIITIPTGATNIEVKQRNQRGSRNNGSFLAIKAADGTYILN
GDYTLSTLEQDIMYKGVVLRYSGSSAALERIRSFSPLKEPLTIQVLTVGNALRPKIKYTY
FVKKKKESFNAIPTFSAWVIEEWGECSKSCELGWQRRLVECRDINGQPASECAKEVKPAS
TRPCADHPCPQWQLGEWSSCSKTCGKGYKKRSLKCLSHDGGVLSHESCDPLKKPKHFIDF
CTMAECS
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| BDBM50168737 |
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| n/a |
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| Name | BDBM50168737 |
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| Synonyms: | (2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzenesulfonyl]-3-hydroxy-3-methyl-piperidine-2-carboxylic acid hydroxyamide | CHEMBL187092 |
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| Type | Small organic molecule |
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| Emp. Form. | C20H22ClFN2O6S |
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| Mol. Mass. | 472.915 |
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| SMILES | C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2Cl)cc1 |
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| Structure | 
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