BDBM1100 (4R,5R,6R)-Tetrahydro-1,3-bis[(3-carboxyphenyl)methyl]-5-hydroxy-4-(2-phenylethyl)-6-(phenylmethyl)-2(1H)-pyrimidinone::3-{[(4R,5R,6R)-4-benzyl-3-[(3-carboxyphenyl)methyl]-5-hydroxy-2-oxo-6-(2-phenylethyl)-1,3-diazinan-1-yl]methyl}benzoic acid::Tetrahydropyrimidinone deriv. 55

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

InChI Key: InChIKey=LBQQXOLUDHGVFS-XWHIBYANSA-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 = 1100   

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)	BDBM1100 ((4R,5R,6R)-Tetrahydro-1,3-bis[(3-carboxyphenyl)met...) Show SMILES O[C@@H]1[C@@H](CCc2ccccc2)N(Cc2cccc(c2)C(O)=O)C(=O)N(Cc2cccc(c2)C(O)=O)[C@@H]1Cc1ccccc1 |r| Show InChI InChI=1S/C35H34N2O6/c38-32-30(18-17-24-9-3-1-4-10-24)36(22-26-13-7-15-28(19-26)33(39)40)35(43)37(31(32)21-25-11-5-2-6-12-25)23-27-14-8-16-29(20-27)34(41)42/h1-16,19-20,30-32,38H,17-18,21-23H2,(H,39,40)(H,41,42)/t30-,31-,32-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.870	-12.8	n/a	n/a	n/a	n/a	n/a	5.5	37
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)	BDBM1100 ((4R,5R,6R)-Tetrahydro-1,3-bis[(3-carboxyphenyl)met...) Show SMILES O[C@@H]1[C@@H](CCc2ccccc2)N(Cc2cccc(c2)C(O)=O)C(=O)N(Cc2cccc(c2)C(O)=O)[C@@H]1Cc1ccccc1 |r| Show InChI InChI=1S/C35H34N2O6/c38-32-30(18-17-24-9-3-1-4-10-24)36(22-26-13-7-15-28(19-26)33(39)40)35(43)37(31(32)21-25-11-5-2-6-12-25)23-27-14-8-16-29(20-27)34(41)42/h1-16,19-20,30-32,38H,17-18,21-23H2,(H,39,40)(H,41,42)/t30-,31-,32-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.870	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)	BDBM1100 ((4R,5R,6R)-Tetrahydro-1,3-bis[(3-carboxyphenyl)met...) Show SMILES O[C@@H]1[C@@H](CCc2ccccc2)N(Cc2cccc(c2)C(O)=O)C(=O)N(Cc2cccc(c2)C(O)=O)[C@@H]1Cc1ccccc1 |r| Show InChI InChI=1S/C35H34N2O6/c38-32-30(18-17-24-9-3-1-4-10-24)36(22-26-13-7-15-28(19-26)33(39)40)35(43)37(31(32)21-25-11-5-2-6-12-25)23-27-14-8-16-29(20-27)34(41)42/h1-16,19-20,30-32,38H,17-18,21-23H2,(H,39,40)(H,41,42)/t30-,31-,32-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	0.871	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