Reaction Details Report a problem with these data
Target
Acrosin
Ligand
BDBM50354885
Substrate
n/a
Meas. Tech.
ChEMBL_772454 (CHEMBL1839245)
IC50
32000±n/a nM
Citation
 Qi, J; Zhu, J; Liu, X; Ding, L; Zheng, C; Han, G; Lv, J; Zhou, Y Synthesis and acrosin inhibitory activities of substituted ethyl 5-(4-aminophenyl)-1H-pyrazole-3-carboxylate derivatives. Bioorg Med Chem Lett 21:5822-5 (2011) [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:
BDBM50354885
Synonyms:
CHEMBL1834511
Type:
Small organic molecule
Emp. Form.:
C19H19N3O4S
Mol. Mass.:
385.437
SMILES:
CCOC(=O)c1cc(n[nH]1)-c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
Structure:
Search PDB for entries with ligand similarity: