Reaction Details Report a problem with these data
Target
Acrosin
Ligand
BDBM50018970
Substrate
n/a
Meas. Tech.
ChEMBL_1365286 (CHEMBL3292380)
IC50
>100000±n/a nM
Citation
 Zhao, J; Tian, W; Qi, J; Lv, D; Liu, Y; Jiang, Y; Dong, G; Chen, Q; Zhou, Y; Zhu, J; Wang, H; Sheng, C; Lv, J Design and synthesis of phenylisoxazole derivatives as novel human acrosin inhibitors. Bioorg Med Chem Lett 24:2802-6 (2014) [PubMed]  Article 
Target
Name:
Acrosin
Synonyms:
ACR | ACRO_HUMAN | ACRS
Type:
PROTEIN
Mol. Mass.:
45865.48
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1365286
Residue:
421
Sequence:
MVEMLPTAILLVLAVSVVAKDNATCDGPCGLRFRQNPQGGVRIVGGKAAQHGAWPWMVSLQIFTYNSHRYHTCGGSLLNSRWVLTAAHCFVGKNNVHDWRLVFGAKEITYGNNKPVKAPLQERYVEKIIIHEKYNSATEGNDIALVEITPPISCGRFIGPGCLPHFKAGLPRGSQSCWVAGWGYIEEKAPRPSSILMEARVDLIDLDLCNSTQWYNGRVQPTNVCAGYPVGKIDTCQGDSGGPLMCKDSKESAYVVVGITSWGVGCARAKRPGIYTATWPYLNWIASKIGSNALRMIQSATPPPPTTRPPPIRPPFSHPISAHLPWYFQPPPRPLPPRPPAAQPRPPPSPPPPPPPPASPLPPPPPPPPPTPSSTTKLPQGLSFAKRLQQLIEVLKGKTYSDGKNHYDMETTELPELTSTS
  
Inhibitor
Name:
BDBM50018970
Synonyms:
CHEMBL3287442
Type:
Small organic molecule
Emp. Form.:
C14H18ClN5O3
Mol. Mass.:
339.777
SMILES:
Cl.CC(CO)NC(=O)c1cc(on1)-c1ccc(NC(N)=N)cc1
Structure:
Search PDB for entries with ligand similarity: