BDBM1159 (4S,5S,6S,7S)-1,3-Dibenzyl-4,7-bis(phenoxymethyl)-5,6-dihydroxy-1,3-diazepan-2-one::(4S,5S,6S,7S)-1,3-dibenzyl-5,6-dihydroxy-4,7-bis(phenoxymethyl)-1,3-diazepan-2-one::Cyclic Urea 1c

SMILES: O[C@@H]1[C@@H](O)[C@H](COc2ccccc2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@H]1COc1ccccc1

InChI Key: InChIKey=SQBOSZXDOHQFAA-YDPTYEFTSA-N

Data: 1 Other

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 1159   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1159 ((4S,5S,6S,7S)-1,3-Dibenzyl-4,7-bis(phenoxymethyl)-...) Show SMILES O[C@@H]1[C@@H](O)[C@H](COc2ccccc2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@H]1COc1ccccc1 |r| Show InChI InChI=1S/C33H34N2O5/c36-31-29(23-39-27-17-9-3-10-18-27)34(21-25-13-5-1-6-14-25)33(38)35(22-26-15-7-2-8-16-26)30(32(31)37)24-40-28-19-11-4-12-20-28/h1-20,29-32,36-37H,21-24H2/t29-,30-,31-,32-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	5.5	37
Uppsala University					Assay Description The IC50 value is the inhibitor concentration that results in 50% of HIV-1 protease activity measured by a spectrophotometric assay using a chromopho...				J Med Chem 40: 885-97 (1997) Article DOI: 10.1021/jm960728j BindingDB Entry DOI: 10.7270/Q24B2ZGX
					More data for this Ligand-Target Pair