BDBM26 (4R,5S,6S,7R)-4,7-dibenzyl-1-butyl-3-(cyclopropylmethyl)-5,6-dihydroxy-1,3-diazepan-2-one::DMPC Cyclic Urea 6

SMILES: CCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CC2CC2)C1=O

InChI Key: InChIKey=QDUGHFLRTUTUJH-XPGKHFPBSA-N

Data: 1 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 1 hit for monomerid = 26   

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)	BDBM26 ((4R,5S,6S,7R)-4,7-dibenzyl-1-butyl-3-(cyclopropylm...) Show SMILES CCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CC2CC2)C1=O Show InChI InChI=1S/C27H36N2O3/c1-2-3-16-28-23(17-20-10-6-4-7-11-20)25(30)26(31)24(18-21-12-8-5-9-13-21)29(27(28)32)19-22-14-15-22/h4-13,22-26,30-31H,2-3,14-19H2,1H3/t23-,24-,25+,26+/m1/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.10	-12.7	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