BDBM50120208 CHEMBL438421::R1-Lys-Gln-Ile-Ile-Asn-Met-Trp-Gln-Glu-Val-Gly-Covalently reactive antigenic peptide analog (CRA)

SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)CCSSCCC(=O)NCCNC(=O)CCCCC1SCC2NC(=O)NC12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)NC(c1ccc(cc1)C(N)=N)P(=O)(Oc1ccccc1)Oc1ccccc1

InChI Key InChIKey=OHQPCMMFYJKADW-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50120208   

TargetSerine protease 1(Bovine)
University of Texas-Houston Medical School

Curated by ChEMBL
LigandPNGBDBM50120208(R1-Lys-Gln-Ile-Ile-Asn-Met-Trp-Gln-Glu-Val-Gly-Cov...)
Affinity DataIC50: 3.00E+4nMAssay Description:Concentration required for the inhibition of catalytic activity of bovine trypsinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed