BDBM1162 (4R,5S,6S,7R)-1,3-Dibenzyl-4,7-bis(3-phenylpropyl)-5,6-dihydroxy-1,3-diazepan-2-one::(4R,5S,6S,7R)-1,3-dibenzyl-5,6-dihydroxy-4,7-bis(3-phenylpropyl)-1,3-diazepan-2-one::Cyclic Urea 3

SMILES: O[C@@H]1[C@@H](O)[C@@H](CCCc2ccccc2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@@H]1CCCc1ccccc1

InChI Key: InChIKey=PCZZRLMYGNFQOV-NWJWHWDBSA-N

Data: 1 KI  1 IC50

PDB links: 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 = 1162   

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
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM1162 ((4R,5S,6S,7R)-1,3-Dibenzyl-4,7-bis(3-phenylpropyl)...) Show SMILES O[C@@H]1[C@@H](O)[C@@H](CCCc2ccccc2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@@H]1CCCc1ccccc1 |r| Show InChI InChI=1S/C37H42N2O3/c40-35-33(25-13-23-29-15-5-1-6-16-29)38(27-31-19-9-3-10-20-31)37(42)39(28-32-21-11-4-12-22-32)34(36(35)41)26-14-24-30-17-7-2-8-18-30/h1-12,15-22,33-36,40-41H,13-14,23-28H2/t33-,34-,35+,36+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	570	-8.85	1.00E+4	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