BDBM27 (4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis(cyclobutylmethyl)-5,6-dihydroxy-1,3-diazepan-2-one::CHEMBL287355::DMPC Cyclic Urea 7

SMILES: O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CC2CCC2)C(=O)N(CC2CCC2)[C@@H]1Cc1ccccc1

InChI Key: InChIKey=ACIVSSKFPCODPQ-VIJSPRBVSA-N

Data: 2 KI

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 2 hits for monomerid = 27   

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
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM27 ((4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis(cyclobutylmethy...) Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CC2CCC2)C(=O)N(CC2CCC2)[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C29H38N2O3/c32-27-25(17-21-9-3-1-4-10-21)30(19-23-13-7-14-23)29(34)31(20-24-15-8-16-24)26(28(27)33)18-22-11-5-2-6-12-22/h1-6,9-12,23-28,32-33H,7-8,13-20H2/t25-,26-,27+,28+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lindsley F. Kimball Research Institute of The New York Blood Center Curated by ChEMBL					Assay Description Inhibition of HIV-1 protease				J Med Chem 42: 249-59 (1999) Article DOI: 10.1021/jm980369n BindingDB Entry DOI: 10.7270/Q2JM28TM
					More data for this Ligand-Target Pair
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM27 ((4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis(cyclobutylmethy...) Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CC2CCC2)C(=O)N(CC2CCC2)[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C29H38N2O3/c32-27-25(17-21-9-3-1-4-10-21)30(19-23-13-7-14-23)29(34)31(20-24-15-8-16-24)26(28(27)33)18-22-11-5-2-6-12-22/h1-6,9-12,23-28,32-33H,7-8,13-20H2/t25-,26-,27+,28+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	-12.6	n/a	n/a	n/a	n/a	n/a	5.5	37
DuPont Merck Pharmaceutical Company					Assay Description Ki values were determined with recombinant single-chain dimeric HIV protease and a fluorescent substrate. The use of single-chain dimeric protease a...				J Med Chem 39: 3514-25 (1996) Article DOI: 10.1021/jm9602571 BindingDB Entry DOI: 10.7270/Q2ZW1J3M
					More data for this Ligand-Target Pair