BDBM7014 (4R,5S,6S,7R)-1,3-dibenzyl-4,7-bis[(3,5-dimethoxyphenyl)methyl]-5,6-dihydroxy-1,3-diazepan-2-one::(4R,5S,6S,7R)-Hexahydro-5,6-dihydroxy-1,3-bis(phenylmethyl)-4,7-bis((3,5-dimethoxyphenyl)methyl)-2H-1,3-diazapin-2-one::Cyclic Urea Based HIV-1 Protease Inhibitor 20

SMILES: COc1cc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3cc(OC)cc(OC)c3)N(Cc3ccccc3)C(=O)N2Cc2ccccc2)cc(OC)c1

InChI Key: InChIKey=LLIXCTOZLODPSK-NWJWHWDBSA-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 = 7014   

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)	BDBM7014 ((4R,5S,6S,7R)-1,3-dibenzyl-4,7-bis[(3,5-dimethoxyp...) Show SMILES COc1cc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3cc(OC)cc(OC)c3)N(Cc3ccccc3)C(=O)N2Cc2ccccc2)cc(OC)c1 Show InChI InChI=1S/C37H42N2O7/c1-43-29-15-27(16-30(21-29)44-2)19-33-35(40)36(41)34(20-28-17-31(45-3)22-32(18-28)46-4)39(24-26-13-9-6-10-14-26)37(42)38(33)23-25-11-7-5-8-12-25/h5-18,21-22,33-36,40-41H,19-20,23-24H2,1-4H3/t33-,34-,35+,36+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8	-11.5	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