BDBM1095 (4R,5R,6R)-4-benzyl-5-hydroxy-1,3-bis({[4-(hydroxymethyl)phenyl]methyl})-6-(2-phenylethyl)-1,3-diazinan-2-one::(4R,5R,6R)-Tetrahydro-1,3-bis[[4-(hydroxymethyl)phenyl]methyl]-5-hydroxy-4-(2-phenylethyl)-6-(phenymethyl)-2(1H)-pyrimidinone::Tetrahydropyrimidinone deriv. 29

SMILES: OCc1ccc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc(CO)cc3)C2=O)cc1

InChI Key: InChIKey=KCKSQYQZBVKEHT-CKOYEXALSA-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 = 1095   

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)	BDBM1095 ((4R,5R,6R)-4-benzyl-5-hydroxy-1,3-bis({[4-(hydroxy...) Show SMILES OCc1ccc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc(CO)cc3)C2=O)cc1 |r| Show InChI InChI=1S/C35H38N2O4/c38-24-30-15-11-28(12-16-30)22-36-32(20-19-26-7-3-1-4-8-26)34(40)33(21-27-9-5-2-6-10-27)37(35(36)41)23-29-13-17-31(25-39)18-14-29/h1-18,32-34,38-40H,19-25H2/t32-,33-,34-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.5	-12.2	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-...				J Med Chem 40: 1707-9 (1997) Article DOI: 10.1021/jm970081i BindingDB Entry DOI: 10.7270/Q2CR5RHB
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