BDBM1146 (4R,5R,6R)-1-[(3-aminophenyl)methyl]-6-benzyl-5-hydroxy-3-[(3-methyl-1H-indazol-5-yl)methyl]-4-(2-phenylethyl)-1,3-diazinan-2-one::(4R,5R,6R)-Tetrahydro-1-(3-aminophenyl-methyl)-3-[3-methyl-1H-indazol-5-ylmethyl]-4-(2-phenylethyl)-5-hydroxy-6-phenylmethyl-2(1H)-pyrimidinone::Tetrahydropyrimidinone deriv. 94

SMILES: Cc1n[nH]c2ccc(CN3[C@H](CCc4ccccc4)[C@@H](O)[C@@H](Cc4ccccc4)N(Cc4cccc(N)c4)C3=O)cc12

InChI Key: InChIKey=JSYUNEPXLBQPTN-CKOYEXALSA-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 = 1146   

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
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM1146 ((4R,5R,6R)-1-[(3-aminophenyl)methyl]-6-benzyl-5-hy...) Show SMILES Cc1n[nH]c2ccc(CN3[C@H](CCc4ccccc4)[C@@H](O)[C@@H](Cc4ccccc4)N(Cc4cccc(N)c4)C3=O)cc12 |r| Show InChI InChI=1S/C35H37N5O2/c1-24-30-20-28(15-17-31(30)38-37-24)23-39-32(18-16-25-9-4-2-5-10-25)34(41)33(21-26-11-6-3-7-12-26)40(35(39)42)22-27-13-8-14-29(36)19-27/h2-15,17,19-20,32-34,41H,16,18,21-23,36H2,1H3,(H,37,38)/t32-,33-,34-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.129	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
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM1146 ((4R,5R,6R)-1-[(3-aminophenyl)methyl]-6-benzyl-5-hy...) Show SMILES Cc1n[nH]c2ccc(CN3[C@H](CCc4ccccc4)[C@@H](O)[C@@H](Cc4ccccc4)N(Cc4cccc(N)c4)C3=O)cc12 |r| Show InChI InChI=1S/C35H37N5O2/c1-24-30-20-28(15-17-31(30)38-37-24)23-39-32(18-16-25-9-4-2-5-10-25)34(41)33(21-26-11-6-3-7-12-26)40(35(39)42)22-27-13-8-14-29(36)19-27/h2-15,17,19-20,32-34,41H,16,18,21-23,36H2,1H3,(H,37,38)/t32-,33-,34-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.130	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)	BDBM1146 ((4R,5R,6R)-1-[(3-aminophenyl)methyl]-6-benzyl-5-hy...) Show SMILES Cc1n[nH]c2ccc(CN3[C@H](CCc4ccccc4)[C@@H](O)[C@@H](Cc4ccccc4)N(Cc4cccc(N)c4)C3=O)cc12 |r| Show InChI InChI=1S/C35H37N5O2/c1-24-30-20-28(15-17-31(30)38-37-24)23-39-32(18-16-25-9-4-2-5-10-25)34(41)33(21-26-11-6-3-7-12-26)40(35(39)42)22-27-13-8-14-29(36)19-27/h2-15,17,19-20,32-34,41H,16,18,21-23,36H2,1H3,(H,37,38)/t32-,33-,34-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.130	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)	BDBM1146 ((4R,5R,6R)-1-[(3-aminophenyl)methyl]-6-benzyl-5-hy...) Show SMILES Cc1n[nH]c2ccc(CN3[C@H](CCc4ccccc4)[C@@H](O)[C@@H](Cc4ccccc4)N(Cc4cccc(N)c4)C3=O)cc12 |r| Show InChI InChI=1S/C35H37N5O2/c1-24-30-20-28(15-17-31(30)38-37-24)23-39-32(18-16-25-9-4-2-5-10-25)34(41)33(21-26-11-6-3-7-12-26)40(35(39)42)22-27-13-8-14-29(36)19-27/h2-15,17,19-20,32-34,41H,16,18,21-23,36H2,1H3,(H,37,38)/t32-,33-,34-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	0.130	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