BDBM24 (4R,5S,6S,7R)-4,7-dibenzyl-1-(cyclopropylmethyl)-5,6-dihydroxy-3-(6-hydroxyhexyl)-1,3-diazepan-2-one::DMPC Cyclic Urea 4

SMILES: OCCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CC2CC2)C1=O

InChI Key: InChIKey=YXVAZXDWVZTGGD-VIJSPRBVSA-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 = 24   

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)	BDBM24 ((4R,5S,6S,7R)-4,7-dibenzyl-1-(cyclopropylmethyl)-5...) Show SMILES OCCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CC2CC2)C1=O Show InChI InChI=1S/C29H40N2O4/c32-18-10-2-1-9-17-30-25(19-22-11-5-3-6-12-22)27(33)28(34)26(20-23-13-7-4-8-14-23)31(29(30)35)21-24-15-16-24/h3-8,11-14,24-28,32-34H,1-2,9-10,15-21H2/t25-,26-,27+,28+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.800	-12.9	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
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