BDBM50121520 1,3-Dibenzyl-5,6-dihydroxy-4,7-diphenethyl-[1,3]diazepan-2-one::CHEMBL150601

SMILES: O[C@@H]1[C@@H](O)C(CCc2ccccc2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)C1CCc1ccccc1

InChI Key: InChIKey=LCUWRKGCTXXCBV-TYBYDDOHSA-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 = 50121520   

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)	BDBM50121520 (1,3-Dibenzyl-5,6-dihydroxy-4,7-diphenethyl-[1,3]di...) Show SMILES O[C@@H]1[C@@H](O)C(CCc2ccccc2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)C1CCc1ccccc1 Show InChI InChI=1S/C35H38N2O3/c38-33-31(23-21-27-13-5-1-6-14-27)36(25-29-17-9-3-10-18-29)35(40)37(26-30-19-11-4-12-20-30)32(34(33)39)24-22-28-15-7-2-8-16-28/h1-20,31-34,38-39H,21-26H2/t31?,32?,33-,34-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease				J Med Chem 45: 5430-9 (2002) BindingDB Entry DOI: 10.7270/Q2GH9JP4
					More data for this Ligand-Target Pair