BDBM7033 (4R,5S,6S,7R)-4,7-bis[(3,5-dimethoxyphenyl)methyl]-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((3,5-dimethoxyphenyl)methyl)-2H-1,3-diazapin-2-one::Cyclic Urea Based HIV-1 Protease Inhibitor 35

SMILES: COc1cc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3cc(OC)cc(OC)c3)N(Cc3cccc(c3)C(C)=O)C(=O)N2Cc2cccc(c2)C(C)=O)cc(OC)c1

InChI Key: InChIKey=ZSYJEFDOEYIEPI-WESAGZJESA-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 = 7033   

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)	BDBM7033 ((4R,5S,6S,7R)-4,7-bis[(3,5-dimethoxyphenyl)methyl]...) Show SMILES COc1cc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3cc(OC)cc(OC)c3)N(Cc3cccc(c3)C(C)=O)C(=O)N2Cc2cccc(c2)C(C)=O)cc(OC)c1 Show InChI InChI=1S/C41H46N2O9/c1-25(44)31-11-7-9-27(13-31)23-42-37(19-29-15-33(49-3)21-34(16-29)50-4)39(46)40(47)38(20-30-17-35(51-5)22-36(18-30)52-6)43(41(42)48)24-28-10-8-12-32(14-28)26(2)45/h7-18,21-22,37-40,46-47H,19-20,23-24H2,1-6H3/t37-,38-,39+,40+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.400	-13.3	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 39: 2156-69 (1996) Article DOI: 10.1021/jm960083n BindingDB Entry DOI: 10.7270/Q257197T
					More data for this Ligand-Target Pair