Reaction Details Report a problem with these data
Target
Disintegrin and metalloproteinase domain-containing protein 8
Ligand
BDBM50190509
Substrate
n/a
Meas. Tech.
ChEMBL_1589214 (CHEMBL3829987)
IC50
2345±n/a nM
Citation
 Yim, V; Noisier, AFM; Hung, KY; Bartsch, JW; Schlomann, U; Brimble, MA Synthesis and biological evaluation of analogues of the potent ADAM8 inhibitor cyclo(RLsKDK) for the treatment of inflammatory diseases and cancer metastasis. Bioorg Med Chem 24:4032-4037 (2016) [PubMed]  Article 
Target
Name:
Disintegrin and metalloproteinase domain-containing protein 8
Synonyms:
ADAM8 | ADAM8_HUMAN | MS2
Type:
PROTEIN
Mol. Mass.:
88789.34
Organism:
Homo sapiens (Human)
Description:
ChEMBL_492660
Residue:
824
Sequence:
MRGLGLWLLGAMMLPAIAPSRPWALMEQYEVVLPWRLPGPRVRRALPSHLGLHPERVSYVLGATGHNFTLHLRKNRDLLGSGYTETYTAANGSEVTEQPRGQDHCFYQGHVEGYPDSAASLSTCAGLRGFFQVGSDLHLIEPLDEGGEGGRHAVYQAEHLLQTAGTCGVSDDSLGSLLGPRTAAVFRPRPGDSLPSRETRYVELYVVVDNAEFQMLGSEAAVRHRVLEVVNHVDKLYQKLNFRVVLVGLEIWNSQDRFHVSPDPSVTLENLLTWQARQRTRRHLHDNVQLITGVDFTGTTVGFARVSAMCSHSSGAVNQDHSKNPVGVACTMAHEMGHNLGMDHDENVQGCRCQERFEAGRCIMAGSIGSSFPRMFSDCSQAYLESFLERPQSVCLANAPDLSHLVGGPVCGNLFVERGEQCDCGPPEDCRNRCCNSTTCQLAEGAQCAHGTCCQECKVKPAGELCRPKKDMCDLEEFCDGRHPECPEDAFQENGTPCSGGYCYNGACPTLAQQCQAFWGPGGQAAEESCFSYDILPGCKASRYRADMCGVLQCKGGQQPLGRAICIVDVCHALTTEDGTAYEPVPEGTRCGPEKVCWKGRCQDLHVYRSSNCSAQCHNHGVCNHKQECHCHAGWAPPHCAKLLTEVHAASGSLPVFVVVVLVLLAVVLVTLAGIIVYRKARSRILSRNVAPKTTMGRSNPLFHQAASRVPAKGGAPAPSRGPQELVPTTHPGQPARHPASSVALKRPPPAPPVTVSSPPFPVPVYTRQAPKQVIKPTFAPPVPPVKPGAGAANPGPAEGAVGPKVALKPPIQRKQGAGAPTAP
  
Inhibitor
Name:
BDBM50190509
Synonyms:
CHEMBL3827487
Type:
Small organic molecule
Emp. Form.:
C31H56N12O10
Mol. Mass.:
756.8507
SMILES:
CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(=N)N[N+]([O-])=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)CCNC1=O |r|
Structure:
Search PDB for entries with ligand similarity: