Reaction Details Report a problem with these data
Target
Kallikrein-4
Ligand
BDBM50303420
Substrate
n/a
Meas. Tech.
ChEMBL_595923 (CHEMBL1041781)
IC50
14454.4±n/a nM
Citation
Mott, BT; Ferreira, RS; Simeonov, A; Jadhav, A; Ang, KK; Leister, W; Shen, M; Silveira, JT; Doyle, PS; Arkin, MR; McKerrow, JH; Inglese, J; Austin, CP; Thomas, CJ; Shoichet, BK; Maloney, DJ Identification and optimization of inhibitors of Trypanosomal cysteine proteases: cruzain, rhodesain, and TbCatB. J Med Chem 53:52-60 (2010) [PubMed] Article
More Info.:
Target
Name:
Kallikrein-4
Synonyms:
EMSP1 | Enamel matrix serine proteinase 1 | KLK-L1 | KLK4 | KLK4_HUMAN | Kallikrein 4 | Kallikrein-4 | Kallikrein-like protein 1 | PRSS17 | PSTS | Prostase | Serine protease 17
Type:
PROTEIN
Mol. Mass.:
27022.83
Organism:
Homo sapiens (Human)
Description:
ChEMBL_595923
Residue:
254
Sequence:
MATAGNPWGWFLGYLILGVAGSLVSGSCSQIINGEDCSPHSQPWQAALVMENELFCSGVLVHPQWVLSAAHCFQNSYTIGLGLHSLEADQEPGSQMVEASLSVRHPEYNRPLLANDLMLIKLDESVSESDTIRSISIASQCPTAGNSCLVSGWGLLANGRMPTVLQCVNVSVVSEEVCSKLYDPLYHPSMFCAGGGHDQKDSCNGDSGGPLICNGYLQGLVSFGKAPCGQVGVPGVYTNLCKFTEWIEKTVQAS
Inhibitor
Name:
BDBM50303420
Synonyms:
6-(3,5-Difluorophenylamino)-9-ethyl-9H-purine-2-carbonitrile | 6-[(3,5-difluorophenyl)amino]-9-ethyl-9H-purine-2-carbonitrile | CHEMBL567341
Type:
Small organic molecule
Emp. Form.:
C14H10F2N6
Mol. Mass.:
300.2662
SMILES:
CCn1cnc2c(Nc3cc(F)cc(F)c3)nc(nc12)C#N