BDBM7072 (4R,5S,6S,7R)-5,6-dihydroxy-1,3-bis({[4-(hydroxymethyl)phenyl]methyl})-4,7-bis[2-(methylsulfanyl)ethyl]-1,3-diazepan-2-one::(4R,5S,6S,7R)-Hexahydro-5,6-dihydroxy-1,3-bis-[[4-(hydroxymethyl)phenyl]methyl]-4,7-bis[2-(methylthio)ethyl]-2H-1,3-diazapin-2-one::Substituted Cyclic Urea 62

SMILES: CSCC[C@@H]1[C@H](O)[C@@H](O)[C@@H](CCSC)N(Cc2ccc(CO)cc2)C(=O)N1Cc1ccc(CO)cc1

InChI Key: InChIKey=IHDSATNEXGYJLD-XPGKHFPBSA-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 = 7072   

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
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM7072 ((4R,5S,6S,7R)-5,6-dihydroxy-1,3-bis({[4-(hydroxyme...) Show SMILES CSCC[C@@H]1[C@H](O)[C@@H](O)[C@@H](CCSC)N(Cc2ccc(CO)cc2)C(=O)N1Cc1ccc(CO)cc1 Show InChI InChI=1S/C27H38N2O5S2/c1-35-13-11-23-25(32)26(33)24(12-14-36-2)29(16-20-5-9-22(18-31)10-6-20)27(34)28(23)15-19-3-7-21(17-30)8-4-19/h3-10,23-26,30-33H,11-18H2,1-2H3/t23-,24-,25+,26+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.90E+3	-7.67	n/a	n/a	n/a	n/a	n/a	5.5	37
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-...				Bioorg Med Chem Lett 8: 1077-82 (1998) Article DOI: 10.1016/s0960-894x(98)00175-9 BindingDB Entry DOI: 10.7270/Q21G0JGN
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