BDBM1139 (4R,5R,6R)-Tetrahydro-1,6-bis-(phenylmethyl)-3-(3-cyano-4-fluorophenylmethyl)-5-hydroxy-4-(2-phenylethyl)-2(1H)-pyrimidinone::5-{[(4R,5R,6R)-3,4-dibenzyl-5-hydroxy-2-oxo-6-(2-phenylethyl)-1,3-diazinan-1-yl]methyl}-2-fluorobenzonitrile::Tetrahydropyrimidinone deriv. 88

SMILES: O[C@@H]1[C@@H](CCc2ccccc2)N(Cc2ccc(F)c(c2)C#N)C(=O)N(Cc2ccccc2)[C@@H]1Cc1ccccc1

InChI Key: InChIKey=MWIIDEOQBAQTQT-WRVRXEDSSA-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 = 1139   

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)	BDBM1139 ((4R,5R,6R)-Tetrahydro-1,6-bis-(phenylmethyl)-3-(3-...) Show SMILES O[C@@H]1[C@@H](CCc2ccccc2)N(Cc2ccc(F)c(c2)C#N)C(=O)N(Cc2ccccc2)[C@@H]1Cc1ccccc1 |r| Show InChI InChI=1S/C34H32FN3O2/c35-30-18-16-28(20-29(30)22-36)24-37-31(19-17-25-10-4-1-5-11-25)33(39)32(21-26-12-6-2-7-13-26)38(34(37)40)23-27-14-8-3-9-15-27/h1-16,18,20,31-33,39H,17,19,21,23-24H2/t31-,32-,33-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	33	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)	BDBM1139 ((4R,5R,6R)-Tetrahydro-1,6-bis-(phenylmethyl)-3-(3-...) Show SMILES O[C@@H]1[C@@H](CCc2ccccc2)N(Cc2ccc(F)c(c2)C#N)C(=O)N(Cc2ccccc2)[C@@H]1Cc1ccccc1 |r| Show InChI InChI=1S/C34H32FN3O2/c35-30-18-16-28(20-29(30)22-36)24-37-31(19-17-25-10-4-1-5-11-25)33(39)32(21-26-12-6-2-7-13-26)38(34(37)40)23-27-14-8-3-9-15-27/h1-16,18,20,31-33,39H,17,19,21,23-24H2/t31-,32-,33-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	33	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)	BDBM1139 ((4R,5R,6R)-Tetrahydro-1,6-bis-(phenylmethyl)-3-(3-...) Show SMILES O[C@@H]1[C@@H](CCc2ccccc2)N(Cc2ccc(F)c(c2)C#N)C(=O)N(Cc2ccccc2)[C@@H]1Cc1ccccc1 |r| Show InChI InChI=1S/C34H32FN3O2/c35-30-18-16-28(20-29(30)22-36)24-37-31(19-17-25-10-4-1-5-11-25)33(39)32(21-26-12-6-2-7-13-26)38(34(37)40)23-27-14-8-3-9-15-27/h1-16,18,20,31-33,39H,17,19,21,23-24H2/t31-,32-,33-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	33	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)	BDBM1139 ((4R,5R,6R)-Tetrahydro-1,6-bis-(phenylmethyl)-3-(3-...) Show SMILES O[C@@H]1[C@@H](CCc2ccccc2)N(Cc2ccc(F)c(c2)C#N)C(=O)N(Cc2ccccc2)[C@@H]1Cc1ccccc1 |r| Show InChI InChI=1S/C34H32FN3O2/c35-30-18-16-28(20-29(30)22-36)24-37-31(19-17-25-10-4-1-5-11-25)33(39)32(21-26-12-6-2-7-13-26)38(34(37)40)23-27-14-8-3-9-15-27/h1-16,18,20,31-33,39H,17,19,21,23-24H2/t31-,32-,33-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	33	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