BDBM50069206 (4R,5S,6S,7R)-5,6-Dihydroxy-4,7-bis-[4-(2-morpholin-4-yl-ethoxy)-benzyl]-1,3-bis-[3-(1H-pyrazol-3-yl)-benzyl]-[1,3]diazepan-2-one::CHEMBL423251

SMILES: O[C@@H]1[C@@H](O)[C@@H](Cc2ccc(OCCN3CCOCC3)cc2)N(Cc2cccc(c2)-c2cc[nH]n2)C(=O)N(Cc2cccc(c2)-c2cc[nH]n2)[C@@H]1Cc1ccc(OCCN2CCOCC2)cc1

InChI Key: InChIKey=OCVIFOLUOWMFFU-NAZFTMCISA-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 = 50069206   

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)	BDBM50069206 ((4R,5S,6S,7R)-5,6-Dihydroxy-4,7-bis-[4-(2-morpholi...) Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccc(OCCN3CCOCC3)cc2)N(Cc2cccc(c2)-c2cc[nH]n2)C(=O)N(Cc2cccc(c2)-c2cc[nH]n2)[C@@H]1Cc1ccc(OCCN2CCOCC2)cc1 Show InChI InChI=1S/C51H60N8O7/c60-49-47(33-37-7-11-43(12-8-37)65-29-23-56-19-25-63-26-20-56)58(35-39-3-1-5-41(31-39)45-15-17-52-54-45)51(62)59(36-40-4-2-6-42(32-40)46-16-18-53-55-46)48(50(49)61)34-38-9-13-44(14-10-38)66-30-24-57-21-27-64-28-22-57/h1-18,31-32,47-50,60-61H,19-30,33-36H2,(H,52,54)(H,53,55)/t47-,48-,49+,50+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description HIV protease inhibition.				Bioorg Med Chem Lett 8: 823-8 (1999) BindingDB Entry DOI: 10.7270/Q2DR2TMP
					More data for this Ligand-Target Pair