Reaction Details Report a problem with these data
Target
Acrosin
Ligand
BDBM50018971
Substrate
n/a
Meas. Tech.
ChEMBL_1365286 (CHEMBL3292380)
IC50
24600±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:
BDBM50018971
Synonyms:
CHEMBL3287443
Type:
Small organic molecule
Emp. Form.:
C17H16ClN5O2
Mol. Mass.:
357.794
SMILES:
Cl.NC(=N)Nc1ccc(cc1)-c1cc(no1)C(=O)Nc1ccccc1
Structure:
Search PDB for entries with ligand similarity: