BDBM9321 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-[(3-hydroxyphenyl)methyl]-1-(naphthalen-2-ylmethyl)-1,3-diazepan-2-one::CHEMBL412810::Cyclic Urea 73

SMILES: O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3ccccc3c2)C(=O)N(Cc2cccc(O)c2)[C@@H]1Cc1ccccc1

InChI Key: InChIKey=SBKIEODZDWYACX-NWJWHWDBSA-N

Data: 2 KI

PDB links: 7 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 = 9321   

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)	BDBM9321 ((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-[(3-hyd...) Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3ccccc3c2)C(=O)N(Cc2cccc(O)c2)[C@@H]1Cc1ccccc1 |r| Show InChI InChI=1S/C37H36N2O4/c40-32-17-9-14-28(21-32)24-38-33(22-26-10-3-1-4-11-26)35(41)36(42)34(23-27-12-5-2-6-13-27)39(37(38)43)25-29-18-19-30-15-7-8-16-31(30)20-29/h1-21,33-36,40-42H,22-25H2/t33-,34-,35+,36+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.330	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)	BDBM9321 ((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-[(3-hyd...) Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3ccccc3c2)C(=O)N(Cc2cccc(O)c2)[C@@H]1Cc1ccccc1 |r| Show InChI InChI=1S/C37H36N2O4/c40-32-17-9-14-28(21-32)24-38-33(22-26-10-3-1-4-11-26)35(41)36(42)34(23-27-12-5-2-6-13-27)39(37(38)43)25-29-18-19-30-15-7-8-16-31(30)20-29/h1-21,33-36,40-42H,22-25H2/t33-,34-,35+,36+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.330	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