BDBM50064592 (4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1-(4-hydroxy-benzyl)-3-[3-(2H-pyrazol-3-yl)-benzyl]-[1,3]diazepan-2-one::CHEMBL61173

SMILES: O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)-c2cc[nH]n2)C(=O)N(Cc2ccc(O)cc2)[C@@H]1Cc1ccccc1

InChI Key: InChIKey=WZSNGBIAZKDCIX-WDKGQIBQSA-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 = 50064592   

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)	BDBM50064592 ((4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1-(4-hydr...) Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)-c2cc[nH]n2)C(=O)N(Cc2ccc(O)cc2)[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C36H36N4O4/c41-30-16-14-27(15-17-30)23-39-32(21-25-8-3-1-4-9-25)34(42)35(43)33(22-26-10-5-2-6-11-26)40(36(39)44)24-28-12-7-13-29(20-28)31-18-19-37-38-31/h1-20,32-35,41-43H,21-24H2,(H,37,38)/t32-,33-,34+,35+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition of HIV protease, measured by assaying the cleavage of a fluorescent peptide substrate using HPLC				J Med Chem 41: 2019-28 (1998) Article DOI: 10.1021/jm9704199 BindingDB Entry DOI: 10.7270/Q29K49B0
					More data for this Ligand-Target Pair