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Target
A disintegrin and metalloproteinase with thrombospondin motifs 1
Ligand
BDBM50395677
Substrate
n/a
Meas. Tech.
ChEMBL_860059 (CHEMBL2167995)
IC50
>50000±n/a nM
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 Chem 55:7061-79 (2012) [PubMed]  Article 
Target
Name:
A disintegrin and metalloproteinase with thrombospondin motifs 1
Synonyms:
ADAMTS1 | ATS1_HUMAN | KIAA1346 | METH1
Type:
PROTEIN
Mol. Mass.:
105362.16
Organism:
Homo sapiens (Human)
Description:
ChEMBL_860059
Residue:
967
Sequence:
MQRAVPEGFGRRKLGSDMGNAERAPGSRSFGPVPTLLLLAAALLAVSDALGRPSEEDEELVVPELERAPGHGTTRLRLHAFDQQLDLELRPDSSFLAPGFTLQNVGRKSGSETPLPETDLAHCFYSGTVNGDPSSAAALSLCEGVRGAFYLLGEAYFIQPLPAASERLATAAPGEKPPAPLQFHLLRRNRQGDVGGTCGVVDDEPRPTGKAETEDEDEGTEGEDEGAQWSPQDPALQGVGQPTGTGSIRKKRFVSSHRYVETMLVADQSMAEFHGSGLKHYLLTLFSVAARLYKHPSIRNSVSLVVVKILVIHDEQKGPEVTSNAALTLRNFCNWQKQHNPPSDRDAEHYDTAILFTRQDLCGSQTCDTLGMADVGTVCDPSRSCSVIEDDGLQAAFTTAHELGHVFNMPHDDAKQCASLNGVNQDSHMMASMLSNLDHSQPWSPCSAYMITSFLDNGHGECLMDKPQNPIQLPGDLPGTSYDANRQCQFTFGEDSKHCPDAASTCSTLWCTGTSGGVLVCQTKHFPWADGTSCGEGKWCINGKCVNKTDRKHFDTPFHGSWGMWGPWGDCSRTCGGGVQYTMRECDNPVPKNGGKYCEGKRVRYRSCNLEDCPDNNGKTFREEQCEAHNEFSKASFGSGPAVEWIPKYAGVSPKDRCKLICQAKGIGYFFVLQPKVVDGTPCSPDSTSVCVQGQCVKAGCDRIIDSKKKFDKCGVCGGNGSTCKKISGSVTSAKPGYHDIITIPTGATNIEVKQRNQRGSRNNGSFLAIKAADGTYILNGDYTLSTLEQDIMYKGVVLRYSGSSAALERIRSFSPLKEPLTIQVLTVGNALRPKIKYTYFVKKKKESFNAIPTFSAWVIEEWGECSKSCELGWQRRLVECRDINGQPASECAKEVKPASTRPCADHPCPQWQLGEWSSCSKTCGKGYKKRSLKCLSHDGGVLSHESCDPLKKPKHFIDFCTMAECS
  
Inhibitor
Name:
BDBM50395677
Synonyms:
CHEMBL2164111
Type:
Small organic molecule
Emp. Form.:
C30H36N8O2S2
Mol. Mass.:
604.789
SMILES:
CCCc1ccc(cc1)S(=O)(=O)NC[C@H]1CCCN1c1nc(NCc2csc(n2)-c2ccccc2)nc(NC2CC2)n1 |r|
Structure:
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