BDBM1127 (4R,5R,6R)-6-benzyl-5-hydroxy-1-[(3-hydroxyphenyl)methyl]-4-(2-phenylethyl)-1,3-diazinan-2-one::(4R,5R,6R)-Tetrahydro-1-[3-hyroxyphenylmethyl]-5-hydroxy-4-(2-phenylethyl)-6-phenylmethyl-2(1H)-pyrimidinone::Tetrahydropyrimidinone deriv. 40

SMILES: O[C@@H]1[C@@H](CCc2ccccc2)NC(=O)N(Cc2cccc(O)c2)[C@@H]1Cc1ccccc1

InChI Key: InChIKey=FJDKMRVTSRTHNT-UBFVSLLYSA-N

Data: 4 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 4 hits for monomerid = 1127   

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)	BDBM1127 ((4R,5R,6R)-6-benzyl-5-hydroxy-1-[(3-hydroxyphenyl)...) Show SMILES O[C@@H]1[C@@H](CCc2ccccc2)NC(=O)N(Cc2cccc(O)c2)[C@@H]1Cc1ccccc1 |r| Show InChI InChI=1S/C26H28N2O3/c29-22-13-7-12-21(16-22)18-28-24(17-20-10-5-2-6-11-20)25(30)23(27-26(28)31)15-14-19-8-3-1-4-9-19/h1-13,16,23-25,29-30H,14-15,17-18H2,(H,27,31)/t23-,24-,25-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals 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 42: 135-52 (1999) Article DOI: 10.1021/jm9803626 BindingDB Entry DOI: 10.7270/Q28050S9
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM1127 ((4R,5R,6R)-6-benzyl-5-hydroxy-1-[(3-hydroxyphenyl)...) Show SMILES O[C@@H]1[C@@H](CCc2ccccc2)NC(=O)N(Cc2cccc(O)c2)[C@@H]1Cc1ccccc1 |r| Show InChI InChI=1S/C26H28N2O3/c29-22-13-7-12-21(16-22)18-28-24(17-20-10-5-2-6-11-20)25(30)23(27-26(28)31)15-14-19-8-3-1-4-9-19/h1-13,16,23-25,29-30H,14-15,17-18H2,(H,27,31)/t23-,24-,25-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company					Assay Description Inhibition constant of HIV protease inhibitors				J Med Chem 42: 135-52 (1999) Article DOI: 10.1021/jm9803626 BindingDB Entry DOI: 10.7270/Q28050S9
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM1127 ((4R,5R,6R)-6-benzyl-5-hydroxy-1-[(3-hydroxyphenyl)...) Show SMILES O[C@@H]1[C@@H](CCc2ccccc2)NC(=O)N(Cc2cccc(O)c2)[C@@H]1Cc1ccccc1 |r| Show InChI InChI=1S/C26H28N2O3/c29-22-13-7-12-21(16-22)18-28-24(17-20-10-5-2-6-11-20)25(30)23(27-26(28)31)15-14-19-8-3-1-4-9-19/h1-13,16,23-25,29-30H,14-15,17-18H2,(H,27,31)/t23-,24-,25-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM1127 ((4R,5R,6R)-6-benzyl-5-hydroxy-1-[(3-hydroxyphenyl)...) Show SMILES O[C@@H]1[C@@H](CCc2ccccc2)NC(=O)N(Cc2cccc(O)c2)[C@@H]1Cc1ccccc1 |r| Show InChI InChI=1S/C26H28N2O3/c29-22-13-7-12-21(16-22)18-28-24(17-20-10-5-2-6-11-20)25(30)23(27-26(28)31)15-14-19-8-3-1-4-9-19/h1-13,16,23-25,29-30H,14-15,17-18H2,(H,27,31)/t23-,24-,25-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibitory activity of compound against HIV-1 aspartyl protease.				Bioorg Med Chem Lett 12: 3453-7 (2002) BindingDB Entry DOI: 10.7270/Q2B27WG3
					More data for this Ligand-Target Pair