BDBM1144 (4R,5R,6R)-1-[(3-aminophenyl)methyl]-4-benzyl-5-hydroxy-3-(1H-indazol-5-ylmethyl)-6-(2-phenylethyl)-1,3-diazinan-2-one::(4R,5R,6R)-Tetrahydro-1-[1H-indazol-5-ylmethyl]-3-(3-aminophenyl-methyl)-4-(2-phenylethyl)-5-hydroxy)-6-(phenylmethyl)-2(1H)-pyrimidinone::Tetrahydropyrimidinone deriv. 92

SMILES: Nc1cccc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc4[nH]ncc4c3)C2=O)c1

InChI Key: InChIKey=MMUOMMUDZAEDSY-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 = 1144   

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)	BDBM1144 ((4R,5R,6R)-1-[(3-aminophenyl)methyl]-4-benzyl-5-hy...) Show SMILES Nc1cccc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc4[nH]ncc4c3)C2=O)c1 |r| Show InChI InChI=1S/C34H35N5O2/c35-29-13-7-12-26(19-29)22-38-31(17-15-24-8-3-1-4-9-24)33(40)32(20-25-10-5-2-6-11-25)39(34(38)41)23-27-14-16-30-28(18-27)21-36-37-30/h1-14,16,18-19,21,31-33,40H,15,17,20,22-23,35H2,(H,36,37)/t31-,32-,33-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0794	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)	BDBM1144 ((4R,5R,6R)-1-[(3-aminophenyl)methyl]-4-benzyl-5-hy...) Show SMILES Nc1cccc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc4[nH]ncc4c3)C2=O)c1 |r| Show InChI InChI=1S/C34H35N5O2/c35-29-13-7-12-26(19-29)22-38-31(17-15-24-8-3-1-4-9-24)33(40)32(20-25-10-5-2-6-11-25)39(34(38)41)23-27-14-16-30-28(18-27)21-36-37-30/h1-14,16,18-19,21,31-33,40H,15,17,20,22-23,35H2,(H,36,37)/t31-,32-,33-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0800	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)	BDBM1144 ((4R,5R,6R)-1-[(3-aminophenyl)methyl]-4-benzyl-5-hy...) Show SMILES Nc1cccc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc4[nH]ncc4c3)C2=O)c1 |r| Show InChI InChI=1S/C34H35N5O2/c35-29-13-7-12-26(19-29)22-38-31(17-15-24-8-3-1-4-9-24)33(40)32(20-25-10-5-2-6-11-25)39(34(38)41)23-27-14-16-30-28(18-27)21-36-37-30/h1-14,16,18-19,21,31-33,40H,15,17,20,22-23,35H2,(H,36,37)/t31-,32-,33-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0800	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)	BDBM1144 ((4R,5R,6R)-1-[(3-aminophenyl)methyl]-4-benzyl-5-hy...) Show SMILES Nc1cccc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc4[nH]ncc4c3)C2=O)c1 |r| Show InChI InChI=1S/C34H35N5O2/c35-29-13-7-12-26(19-29)22-38-31(17-15-24-8-3-1-4-9-24)33(40)32(20-25-10-5-2-6-11-25)39(34(38)41)23-27-14-16-30-28(18-27)21-36-37-30/h1-14,16,18-19,21,31-33,40H,15,17,20,22-23,35H2,(H,36,37)/t31-,32-,33-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	0.0802	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