BDBM50478110 CHEMBL259895

SMILES COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)Cc1ccc(Br)cc1)C(C)(C)C

InChI Key InChIKey=BUXZHPPMFKNUOP-LCNNHFSHSA-N

Data  1 KI

PDB links: 1 PDB ID matches this monomer.

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50478110   

TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50478110(CHEMBL259895)
Show SMILES COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)Cc1ccc(Br)cc1)C(C)(C)C
Show InChI InChI=1S/C36H45BrN4O6/c1-35(2,3)31(39-34(45)47-4)32(43)40-41(23-25-15-17-27(37)18-16-25)20-10-19-36(46,22-24-11-6-5-7-12-24)33(44)38-30-28-14-9-8-13-26(28)21-29(30)42/h5-9,11-18,29-31,42,46H,10,19-23H2,1-4H3,(H,38,44)(H,39,45)(H,40,43)/t29-,30+,31-,36-/m1/s1
Affinity DataKi:  3.30nMAssay Description:Inhibition of HIV1 protease expressed in Escherichia coliMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB