Reaction Details Report a problem with these data
Target
A disintegrin and metalloproteinase with thrombospondin motifs 6
Ligand
BDBM471831
Substrate
n/a
Meas. Tech.
In Vitro Assay
IC50
12.5±n/a nM
Citation
Labéguère, FG; Heng, R; De Ceuninck, FA; Alvey, LJ; Amantini, D; Brebion, FL; Deprez, PM; Gosmini, RL; Jary, HM; Peixoto, C; Pop-Botez, IE; Varin, ML 5-[3-[piperazin-1-yl]-3-oxo-propyl]-imidazolidine-2,4-dione derivatives as ADAMTS 4 and 5 inhibitors for treating e.g. osteoarthritis US Patent US10829478 Publication Date 11/10/2020
More Info.:
Target
Name:
A disintegrin and metalloproteinase with thrombospondin motifs 6
Synonyms:
ADAM-TS 6 | ADAM-TS6 | ADAMTS-6 | ADAMTS6 | ATS6_HUMAN
Type:
Protein
Mol. Mass.:
125276.26
Organism:
Human
Description:
Q9UKP5
Residue:
1117
Sequence:
MEILWKTLTWILSLIMASSEFHSDHRLSYSSQEEFLTYLEHYQLTIPIRVDQNGAFLSFTVKNDKHSRRRRSMDPIDPQQAVSKLFFKLSAYGKHFHLNLTLNTDFVSKHFTVEYWGKDGPQWKHDFLDNCHYTGYLQDQRSTTKVALSNCVGLHGVIATEDEEYFIEPLKNTTEDSKHFSYENGHPHVIYKKSALQQRHLYDHSHCGVSDFTRSGKPWWLNDTSTVSYSLPINNTHIHHRQKRSVSIERFVETLVVADKMMVGYHGRKDIEHYILSVMNIVAKLYRDSSLGNVVNIIVARLIVLTEDQPNLEINHHADKSLDSFCKWQKSILSHQSDGNTIPENGIAHHDNAVLITRYDICTYKNKPCGTLGLASVAGMCEPERSCSINEDIGLGSAFTIAHEIGHNFGMNHDGIGNSCGTKGHEAAKLMAAHITANTNPFSWSACSRDYITSFLDSGRGTCLDNEPPKRDFLYPAVAPGQVYDADEQCRFQYGATSRQCKYGEVCRELWCLSKSNRCVTNSIPAAEGTLCQTGNIEKGWCYQGDCVPFGTWPQSIDGGWGPWSLWGECSRTCGGGVSSSLRHCDSPAPSGGGKYCLGERKRYRSCNTDPCPLGSRDFREKQCADFDNMPFRGKYYNWKPYTGGGVKPCALNCLAEGYNFYTERAPAVIDGTQCNADSLDICINGECKHVGCDNILGSDAREDRCRVCGGDGSTCDAIEGFFNDSLPRGGYMEVVQIPRGSVHIEVREVAMSKNYIALKSEGDDYYINGAWTIDWPRKFDVAGTAFHYKRPTDEPESLEALGPTSENLIVMVLLQEQNLGIRYKFNVPITRTGSGDNEVGFTWNHQPWSECSATCAGGVQRQEVVCKRLDDNSIVQNNYCDPDSKPPENQRACNTEPCPPEWFIGDWLECSKTCDGGMRTRAVLCIRKIGPSEEETLDYSGCLTHRPVEKEPCNNQSCPPQWVALDWSECTPKCGPGFKHRIVLCKSSDLSKTFPAAQCPEESKPPVRIRCSLGRCPPPRWVTGDWGQCSAQCGLGQQMRTVQCLSYTGQASSDCLETVRPPSMQQCESKCDSTPISNTEECKDVNKVAYCPLVLKFKFCSRAYFRQMCCKTCQGH
Inhibitor
Name:
BDBM471831
Synonyms:
(5R)-5-[(2S)-3- [4-(3,4-difluoro- 5-methoxy- phenyl) piperazin-1- yl]-2-methyl-3- oxo-propyl]-5- ethyl- imidazolidine- 2,4-dione | US10829478, Compound 57
Type:
Small organic molecule
Emp. Form.:
C20H26F2N4O4
Mol. Mass.:
424.4416
SMILES:
CC[C@]1(C[C@H](C)C(=O)N2CCN(CC2)c2cc(F)c(F)c(OC)c2)NC(=O)NC1=O |r|