Reaction Details Report a problem with these data
Target
Acrosin
Ligand
BDBM50436618
Substrate
n/a
Meas. Tech.
ChEMBL_967179 (CHEMBL2399923)
IC50
90000±n/a nM
Citation
 Tian, W; Han, G; Zhu, J; Qi, J; Chen, Q; Zhao, J; Zheng, C; Zhang, L; Zhou, Y; Lv, J Synthesis and acrosin inhibitory activities of 5-phenyl-1H-pyrazole-3-carboxylic acid amide derivatives. Bioorg Med Chem Lett 23:4177-84 (2013) [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:
BDBM50436618
Synonyms:
CHEMBL2397958
Type:
Small organic molecule
Emp. Form.:
C13H15N3O3
Mol. Mass.:
261.2765
SMILES:
COc1ccc(cc1)-c1cc([nH]n1)C(=O)NCCO
Structure:
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