BDBM1141 (4R,5R,6R)-Tetrahydro-1-(3-(N-hydroxycarboximidamide)phenylmethyl)-3-cyclopropylmethyl-6-phenylmethyl-5-hydroxy-4-(2-phenylethyl)-2(1H)-pyrimidinone::3-{[(4R,5R,6R)-6-benzyl-3-(cyclopropylmethyl)-5-hydroxy-2-oxo-4-(2-phenylethyl)-1,3-diazinan-1-yl]methyl}-N'-hydroxybenzene-1-carboximidamide::Tetrahydropyrimidinone deriv. 43

SMILES: ONC(=N)c1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](CCc3ccccc3)N(CC3CC3)C2=O)c1

InChI Key: InChIKey=GCTCWKNGECMMNZ-MPFGFTFXSA-N

Data: 3 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 3 hits for monomerid = 1141   

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)	BDBM1141 ((4R,5R,6R)-Tetrahydro-1-(3-(N-hydroxycarboximidami...) Show SMILES ONC(=N)c1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](CCc3ccccc3)N(CC3CC3)C2=O)c1 |r| Show InChI InChI=1S/C31H36N4O3/c32-30(33-38)26-13-7-12-25(18-26)21-35-28(19-23-10-5-2-6-11-23)29(36)27(17-16-22-8-3-1-4-9-22)34(31(35)37)20-24-14-15-24/h1-13,18,24,27-29,36,38H,14-17,19-21H2,(H2,32,33)/t27-,28-,29-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.480	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)	BDBM1141 ((4R,5R,6R)-Tetrahydro-1-(3-(N-hydroxycarboximidami...) Show SMILES ONC(=N)c1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](CCc3ccccc3)N(CC3CC3)C2=O)c1 |r| Show InChI InChI=1S/C31H36N4O3/c32-30(33-38)26-13-7-12-25(18-26)21-35-28(19-23-10-5-2-6-11-23)29(36)27(17-16-22-8-3-1-4-9-22)34(31(35)37)20-24-14-15-24/h1-13,18,24,27-29,36,38H,14-17,19-21H2,(H2,32,33)/t27-,28-,29-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.480	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)	BDBM1141 ((4R,5R,6R)-Tetrahydro-1-(3-(N-hydroxycarboximidami...) Show SMILES ONC(=N)c1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](CCc3ccccc3)N(CC3CC3)C2=O)c1 |r| Show InChI InChI=1S/C31H36N4O3/c32-30(33-38)26-13-7-12-25(18-26)21-35-28(19-23-10-5-2-6-11-23)29(36)27(17-16-22-8-3-1-4-9-22)34(31(35)37)20-24-14-15-24/h1-13,18,24,27-29,36,38H,14-17,19-21H2,(H2,32,33)/t27-,28-,29-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	0.481	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