BDBM7028 (4R,5S,6S,7R)-4,7-bis(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,3-bis[(3-acetylphenyl)methyl]-5,6-dihydroxy-1,3-diazepan-2-one::(4R,5S,6S,7R)-Hexahydro-5,6-dihydroxy-1,3-bis(3-acetylbenzyl)-4,7-bis(2,3-dihydrobenzo[b]furan-5-ylmethyl)-2H-1,3-diazapin-2-one::Cyclic Urea Based HIV-1 Protease Inhibitor 30

SMILES: CC(=O)c1cccc(CN2[C@H](Cc3ccc4OCCc4c3)[C@H](O)[C@@H](O)[C@@H](Cc3ccc4OCCc4c3)N(Cc3cccc(c3)C(C)=O)C2=O)c1

InChI Key: InChIKey=HSNYTGTZBQKMTG-JFDQHVTASA-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 = 7028   

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)	BDBM7028 ((4R,5S,6S,7R)-4,7-bis(2,3-dihydro-1-benzofuran-5-y...) Show SMILES CC(=O)c1cccc(CN2[C@H](Cc3ccc4OCCc4c3)[C@H](O)[C@@H](O)[C@@H](Cc3ccc4OCCc4c3)N(Cc3cccc(c3)C(C)=O)C2=O)c1 Show InChI InChI=1S/C41H42N2O7/c1-25(44)31-7-3-5-29(19-31)23-42-35(21-27-9-11-37-33(17-27)13-15-49-37)39(46)40(47)36(22-28-10-12-38-34(18-28)14-16-50-38)43(41(42)48)24-30-6-4-8-32(20-30)26(2)45/h3-12,17-20,35-36,39-40,46-47H,13-16,21-24H2,1-2H3/t35-,36-,39+,40+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0480	-14.6	n/a	n/a	n/a	n/a	n/a	5.5	37
DuPont Merck Pharmaceutical Company					Assay Description Inhibition of HIV protease was measured by assay of the cleavage of a fluorescent peptide substrate. The fluorescent product (2-aminobenzoyl-Ala-Thr-...				J Med Chem 40: 1465-74 (1997) Article DOI: 10.1021/jm960839i BindingDB Entry DOI: 10.7270/Q29021Z4
					More data for this Ligand-Target Pair