Target
A disintegrin and metalloproteinase with thrombospondin motifs 5
Ligand
BDBM50532311
Substrate
n/a
Meas. Tech.
ChEMBL_1922601 (CHEMBL4425557)
IC50
7.0±n/a nM
Citation
 Wiley, MRDurham, TBAdams, LAChambers, MGLin, CLiu, CMarimuthu, JMitchell, PGMudra, DRSwearingen, CAToth, JLWeller, JMThirunavukkarasu, K Use of Osmotic Pumps to Establish the Pharmacokinetic-Pharmacodynamic Relationship and Define Desirable Human Performance Characteristics for Aggrecanase Inhibitors. J Med Chem 59:5810-22 (2016) [PubMed]  Article 
Target
Name:
A disintegrin and metalloproteinase with thrombospondin motifs 5
Synonyms:
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5) | ADAMTS11 | ADAMTS5 | ADMP2 | ATS5_HUMAN | Aggrecanase-2 | Metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)
Type:
Enzyme
Mol. Mass.:
101769.09
Organism:
Homo sapiens (Human)
Description:
Q9UNA0
Residue:
930
Sequence:
MLLGWASLLLCAFRLPLAAVGPAATPAQDKAGQPPTAAAAAQPRRRQGEEVQERAEPPGHPHPLAQRRRSKGLVQNIDQLYSGGGKVGYLVYAGGRRFLLDLERDGSVGIAGFVPAGGGTSAPWRHRSHCFYRGTVDGSPRSLAVFDLCGGLDGFFAVKHARYTLKPLLRGPWAEEEKGRVYGDGSARILHVYTREGFSFEALPPRASCETPASTPEAHEHAPAHSNPSGRAALASQLLDQSALSPAGGSGPQTWWRRRRRSISRARQVELLLVADASMARLYGRGLQHYLLTLASIANRLYSHASIENHIRLAVVKVVVLGDKDKSLEVSKNAATTLKNFCKWQHQHNQLGDDHEEHYDAAILFTREDLCGHHSCDTLGMADVGTICSPERSCAVIEDDGLHAAFTVAHEIGHLLGLSHDDSKFCEETFGSTEDKRLMSSILTSIDASKPWSKCTSATITEFLDDGHGNCLLDLPRKQILGPEELPGQTYDATQQCNLTFGPEYSVCPGMDVCARLWCAVVRQGQMVCLTKKLPAVEGTPCGKGRICLQGKCVDKTKKKYYSTSSHGNWGSWGSWGQCSRSCGGGVQFAYRHCNNPAPRNNGRYCTGKRAIYRSCSLMPCPPNGKSFRHEQCEAKNGYQSDAKGVKTFVEWVPKYAGVLPADVCKLTCRAKGTGYYVVFSPKVTDGTECRLYSNSVCVRGKCVRTGCDGIIGSKLQYDKCGVCGGDNSSCTKIVGTFNKKSKGYTDVVRIPEGATHIKVRQFKAKDQTRFTAYLALKKKNGEYLINGKYMISTSETIIDINGTVMNYSGWSHRDDFLHGMGYSATKEILIVQILATDPTKPLDVRYSFFVPKKSTPKVNSVTSHGSNKVGSHTSQPQWVTGPWLACSRTCDTGWHTRTVQCQDGNRKLAKGCPLSQRPSAFKQCLLKKC
  
Inhibitor
Name:
BDBM50532311
Synonyms:
CHEMBL4587825
Type:
Small organic molecule
Emp. Form.:
C18H16ClN5O4
Mol. Mass.:
401.804
SMILES:
Cc1cnc(n1C)[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O |r|
Structure:
Search PDB for entries with ligand similarity: