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Target
A disintegrin and metalloproteinase with thrombospondin motifs 4
Ligand
BDBM50122546
Substrate
n/a
Meas. Tech.
ChEMBL_1519714 (CHEMBL3624059)
IC50
43±n/a nM
Citation
 Ding, Y; O'Keefe, H; DeLorey, JL; Israel, DI; Messer, JA; Chiu, CH; Skinner, SR; Matico, RE; Murray-Thompson, MF; Li, F; Clark, MA; Cuozzo, JW; Arico-Muendel, C; Morgan, BA Discovery of Potent and Selective Inhibitors for ADAMTS-4 through DNA-Encoded Library Technology (ELT). ACS Med Chem Lett 6:888-93 (2015) [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:
BDBM50122546
Synonyms:
CHEMBL3622507
Type:
Small organic molecule
Emp. Form.:
C27H36N8O
Mol. Mass.:
488.6277
SMILES:
CCN(C)C(=O)c1ccc(CNc2nc(NCCN(C)C)nc(n2)N2CCc3ccccc3C2)cc1
Structure:
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