Reaction Details Report a problem with these data
Target
A disintegrin and metalloproteinase with thrombospondin motifs 4
Ligand
BDBM50441574
Substrate
n/a
Meas. Tech.
ChEMBL_986807 (CHEMBL2438448)
IC50
630±n/a nM
Citation
 Maingot, L; Elbakali, J; Dumont, J; Bosc, D; Cousaert, N; Urban, A; Deglane, G; Villoutreix, B; Nagase, H; Sperandio, O; Leroux, F; Deprez, B; Deprez-Poulain, R Aggrecanase-2 inhibitors based on the acylthiosemicarbazide zinc-binding group. Eur J Med Chem 69:244-61 (2013) [PubMed]  Article 
Target
Name:
A disintegrin and metalloproteinase with thrombospondin motifs 4
Synonyms:
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4) | ADAMTS4 | ATS4_HUMAN | Aggrecanase-1 | KIAA0688 | Metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)
Type:
Enzyme
Mol. Mass.:
90214.54
Organism:
Homo sapiens (Human)
Description:
O75173
Residue:
837
Sequence:
MSQTGSHPGRGLAGRWLWGAQPCLLLPIVPLSWLVWLLLLLLASLLPSARLASPLPREEEIVFPEKLNGSVLPGSGAPARLLCRLQAFGETLLLELEQDSGVQVEGLTVQYLGQAPELLGGAEPGTYLTGTINGDPESVASLHWDGGALLGVLQYRGAELHLQPLEGGTPNSAGGPGAHILRRKSPASGQGPMCNVKAPLGSPSPRPRRAKRFASLSRFVETLVVADDKMAAFHGAGLKRYLLTVMAAAAKAFKHPSIRNPVSLVVTRLVILGSGEEGPQVGPSAAQTLRSFCAWQRGLNTPEDSDPDHFDTAILFTRQDLCGVSTCDTLGMADVGTVCDPARSCAIVEDDGLQSAFTAAHELGHVFNMLHDNSKPCISLNGPLSTSRHVMAPVMAHVDPEEPWSPCSARFITDFLDNGYGHCLLDKPEAPLHLPVTFPGKDYDADRQCQLTFGPDSRHCPQLPPPCAALWCSGHLNGHAMCQTKHSPWADGTPCGPAQACMGGRCLHMDQLQDFNIPQAGGWGPWGPWGDCSRTCGGGVQFSSRDCTRPVPRNGGKYCEGRRTRFRSCNTEDCPTGSALTFREEQCAAYNHRTDLFKSFPGPMDWVPRYTGVAPQDQCKLTCQAQALGYYYVLEPRVVDGTPCSPDSSSVCVQGRCIHAGCDRIIGSKKKFDKCMVCGGDGSGCSKQSGSFRKFRYGYNNVVTIPAGATHILVRQQGNPGHRSIYLALKLPDGSYALNGEYTLMPSPTDVVLPGAVSLRYSGATAASETLSGHGPLAQPLTLQVLVAGNPQDTRLRYSFFVPRPTPSTPRPTPQDWLHRRAQILEILRRRPWAGRK
  
Inhibitor
Name:
BDBM50441574
Synonyms:
CHEMBL2437163
Type:
Small organic molecule
Emp. Form.:
C19H28ClN3O2S
Mol. Mass.:
397.963
SMILES:
Clc1ccc(OCC(=O)NNC(=S)NCCCCC2CCCCC2)cc1
Structure:
Search PDB for entries with ligand similarity: