BDBM50069204 (4R,5S,6S,7R)-5,6-Dihydroxy-1,3-bis-[3-(1H-pyrazol-3-yl)-benzyl]-4,7-bis-[4-(pyridin-3-ylmethoxy)-benzyl]-[1,3]diazepan-2-one::CHEMBL353484

SMILES: O[C@@H]1[C@@H](O)[C@@H](Cc2ccc(OCc3cccnc3)cc2)N(Cc2cccc(c2)-c2cc[nH]n2)C(=O)N(Cc2cccc(c2)-c2cc[nH]n2)[C@@H]1Cc1ccc(OCc2cccnc2)cc1

InChI Key: InChIKey=CTXMFQMWMNCPNF-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 = 50069204   

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)	BDBM50069204 ((4R,5S,6S,7R)-5,6-Dihydroxy-1,3-bis-[3-(1H-pyrazol...) Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccc(OCc3cccnc3)cc2)N(Cc2cccc(c2)-c2cc[nH]n2)C(=O)N(Cc2cccc(c2)-c2cc[nH]n2)[C@@H]1Cc1ccc(OCc2cccnc2)cc1 Show InChI InChI=1S/C51H48N8O5/c60-49-47(27-35-11-15-43(16-12-35)63-33-39-7-3-21-52-29-39)58(31-37-5-1-9-41(25-37)45-19-23-54-56-45)51(62)59(32-38-6-2-10-42(26-38)46-20-24-55-57-46)48(50(49)61)28-36-13-17-44(18-14-36)64-34-40-8-4-22-53-30-40/h1-26,29-30,47-50,60-61H,27-28,31-34H2,(H,54,56)(H,55,57)/t47-,48-,49+,50+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0590	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