BDBM9340 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1-(naphthalen-2-ylmethyl)-3-propyl-1,3-diazepan-2-one::CHEMBL313520::Cyclic Urea 62

SMILES: CCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3ccccc3c2)C1=O

InChI Key: InChIKey=OSESYLJAMKLVDA-ZRTHHSRSSA-N

Data: 2 KI

PDB links: 8 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 2 hits for monomerid = 9340   

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
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM9340 ((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1-(naphth...) Show SMILES CCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3ccccc3c2)C1=O |r| Show InChI InChI=1S/C33H36N2O3/c1-2-19-34-29(21-24-11-5-3-6-12-24)31(36)32(37)30(22-25-13-7-4-8-14-25)35(33(34)38)23-26-17-18-27-15-9-10-16-28(27)20-26/h3-18,20,29-32,36-37H,2,19,21-23H2,1H3/t29-,30-,31+,32+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lindsley F. Kimball Research Institute of The New York Blood Center Curated by ChEMBL					Assay Description Inhibition of HIV-1 protease				J Med Chem 42: 249-59 (1999) Article DOI: 10.1021/jm980369n BindingDB Entry DOI: 10.7270/Q2JM28TM
					More data for this Ligand-Target Pair
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM9340 ((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1-(naphth...) Show SMILES CCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3ccccc3c2)C1=O |r| Show InChI InChI=1S/C33H36N2O3/c1-2-19-34-29(21-24-11-5-3-6-12-24)31(36)32(37)30(22-25-13-7-4-8-14-25)35(33(34)38)23-26-17-18-27-15-9-10-16-28(27)20-26/h3-18,20,29-32,36-37H,2,19,21-23H2,1H3/t29-,30-,31+,32+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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: 3514-25 (1996) Article DOI: 10.1021/jm9602571 BindingDB Entry DOI: 10.7270/Q2ZW1J3M
					More data for this Ligand-Target Pair