BindingDB PrimarySearch

BDBM517 (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}butyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide::CHEMBL115::Crixivan::INDINAVIR SULFATE::Indinavir::Indinavir, 19::L-735, 524::MK639

SMILES: CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12

InChI Key: InChIKey=CBVCZFGXHXORBI-PXQQMZJSSA-N

Data: 62 KI 43 IC50 2 Kd 1 K_off 1 K_on 18 ITC

PDB links: 15 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 107 hits for monomerid = 517
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
HIV-1 Protease Mutant V6(46/84) (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida College of Medicine					Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe...				Biochemistry 43: 12141-51 (2004) Article DOI: 10.1021/bi049459m BindingDB Entry DOI: 10.7270/Q2V69GTD
University of Florida College of Medicine					More data for this Ligand-Target Pair				3D Structure (crystal)
HIV-1 Protease Mutant V6 (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	69	-10.2	n/a	n/a	n/a	n/a	n/a	4.7	37
University of Florida College of Medicine					Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe...				Biochemistry 43: 12141-51 (2004) Article DOI: 10.1021/bi049459m BindingDB Entry DOI: 10.7270/Q2V69GTD
University of Florida College of Medicine					More data for this Ligand-Target Pair				3D Structure (crystal)
HIV-1 Protease AE Mutant (V82F) (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	108	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical					Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe...				Biochemistry 45: 5468-77 (2006) Article DOI: 10.1021/bi051886s BindingDB Entry DOI: 10.7270/Q2QF8R33
Johnson & Johnson Pharmaceutical					More data for this Ligand-Target Pair				3D Structure (crystal)
HIV-1 Protease Mutant V6(84) (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	289	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida College of Medicine					Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe...				Biochemistry 43: 12141-51 (2004) Article DOI: 10.1021/bi049459m BindingDB Entry DOI: 10.7270/Q2V69GTD
University of Florida College of Medicine					More data for this Ligand-Target Pair				3D Structure (crystal)
HIV-1 Protease Mutant V6(54) (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	398	-9.08	n/a	n/a	n/a	n/a	n/a	4.7	37
University of Florida College of Medicine					Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe...				Biochemistry 43: 12141-51 (2004) Article DOI: 10.1021/bi049459m BindingDB Entry DOI: 10.7270/Q2V69GTD
University of Florida College of Medicine					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 3A (Homo sapiens (Human))	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Inc Curated by ChEMBL					Assay Description Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone hydroxylation				Curr Drug Metab 6: 413-54 (2005) Article DOI: 10.2174/138920005774330639 BindingDB Entry DOI: 10.7270/Q2VQ33X3
F. Hoffmann-La Roche Inc Curated by ChEMBL					More data for this Ligand-Target Pair
HIV-1 Protease Mutant, NAM-10 (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	MMDB B.MOAD GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	481	-8.61	n/a	n/a	n/a	n/a	n/a	5.0	25
The Johns Hopkins University					Assay Description Protease activity was determined by following the increase in fluorescence with hydrolysis of the fluorogenic substrate Arg-Glu(EDANS)-Ser-Gln-Asn-Ty...				Biochemistry 42: 631-8 (2003) Article DOI: 10.1021/bi027019u BindingDB Entry DOI: 10.7270/Q2668BB6
The Johns Hopkins University					More data for this Ligand-Target Pair
HIV-1 Protease Mutant, ANAM-11 (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	MMDB B.MOAD GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.10E+3	-8.12	n/a	n/a	n/a	n/a	n/a	5.0	25
The Johns Hopkins University					Assay Description Protease activity was determined by following the increase in fluorescence with hydrolysis of the fluorogenic substrate Arg-Glu(EDANS)-Ser-Gln-Asn-Ty...				Biochemistry 42: 631-8 (2003) Article DOI: 10.1021/bi027019u BindingDB Entry DOI: 10.7270/Q2668BB6
The Johns Hopkins University					More data for this Ligand-Target Pair
HIV-1 Protease AE-P (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical					Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe...				Biochemistry 45: 5468-77 (2006) Article DOI: 10.1021/bi051886s BindingDB Entry DOI: 10.7270/Q2QF8R33
Johnson & Johnson Pharmaceutical					More data for this Ligand-Target Pair				3D Structure (crystal)
HIV-1 Protease Mutant V6(46) (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.96E+3	-8.09	n/a	n/a	n/a	n/a	n/a	4.7	37
University of Florida College of Medicine					Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe...				Biochemistry 43: 12141-51 (2004) Article DOI: 10.1021/bi049459m BindingDB Entry DOI: 10.7270/Q2V69GTD
University of Florida College of Medicine					More data for this Ligand-Target Pair				3D Structure (crystal)
HIV-1 Protease Mutant V6(46/54/84) (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	2.91E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida College of Medicine					Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe...				Biochemistry 43: 12141-51 (2004) Article DOI: 10.1021/bi049459m BindingDB Entry DOI: 10.7270/Q2V69GTD
University of Florida College of Medicine					More data for this Ligand-Target Pair				3D Structure (crystal)
HIV-1 Protease Mutant V6(54/84) (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	4.24E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida College of Medicine					Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe...				Biochemistry 43: 12141-51 (2004) Article DOI: 10.1021/bi049459m BindingDB Entry DOI: 10.7270/Q2V69GTD
University of Florida College of Medicine					More data for this Ligand-Target Pair				3D Structure (crystal)
HIV-1 Protease Mutant V-18C (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	MMDB B.MOAD GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...				Bioorg Med Chem Lett 14: 4651-4 (2004) Article DOI: 10.1016/j.bmcl.2004.06.092 BindingDB Entry DOI: 10.7270/Q22Z13QX
Merck Research Laboratories					More data for this Ligand-Target Pair
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	5.5	30
Merck Research Laboratories					Assay Description Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...				Bioorg Med Chem Lett 13: 4027-30 (2003) Article DOI: 10.1016/j.bmcl.2003.08.049 BindingDB Entry DOI: 10.7270/Q2Z60M7Z
Merck Research Laboratories					More data for this Ligand-Target Pair				3D Structure (crystal)
HIV-1 Protease Mutant K-60C (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	61.2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...				Bioorg Med Chem Lett 13: 4027-30 (2003) Article DOI: 10.1016/j.bmcl.2003.08.049 BindingDB Entry DOI: 10.7270/Q2Z60M7Z
Merck Research Laboratories					More data for this Ligand-Target Pair				3D Structure (crystal)
HIV-1 Protease Mutant V-18C (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	MMDB B.MOAD GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	43.6	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...				Bioorg Med Chem Lett 13: 4027-30 (2003) Article DOI: 10.1016/j.bmcl.2003.08.049 BindingDB Entry DOI: 10.7270/Q2Z60M7Z
Merck Research Laboratories					More data for this Ligand-Target Pair
HIV-1 Protease Mutant Q-60C (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	20.1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...				Bioorg Med Chem Lett 13: 4027-30 (2003) Article DOI: 10.1016/j.bmcl.2003.08.049 BindingDB Entry DOI: 10.7270/Q2Z60M7Z
Merck Research Laboratories					More data for this Ligand-Target Pair				3D Structure (crystal)
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	5.5	30
Merck Research Laboratories					Assay Description Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...				Bioorg Med Chem Lett 13: 2573-6 (2003) Article DOI: 10.1016/s0960-894x(03)00474-8 BindingDB Entry DOI: 10.7270/Q2TD9VJ4
Merck Research Laboratories					More data for this Ligand-Target Pair				3D Structure (crystal)
HIV-1 Protease Mutant K-60C (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	61.2	n/a	n/a	n/a	n/a	5.5	30
Merck Research Laboratories					Assay Description Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...				Bioorg Med Chem Lett 13: 2569-72 (2003) Article DOI: 10.1016/s0960-894x(03)00475-x BindingDB Entry DOI: 10.7270/Q2PN93V7
Merck Research Laboratories					More data for this Ligand-Target Pair				3D Structure (crystal)
HIV-1 Protease Mutant V-18C (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	MMDB B.MOAD GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	43.6	n/a	n/a	n/a	n/a	5.5	30
Merck Research Laboratories					Assay Description Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...				Bioorg Med Chem Lett 13: 2569-72 (2003) Article DOI: 10.1016/s0960-894x(03)00475-x BindingDB Entry DOI: 10.7270/Q2PN93V7
Merck Research Laboratories					More data for this Ligand-Target Pair
HIV-1 Protease Mutant Q-60C (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	20.1	n/a	n/a	n/a	n/a	5.5	30
Merck Research Laboratories					Assay Description Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...				Bioorg Med Chem Lett 13: 2569-72 (2003) Article DOI: 10.1016/s0960-894x(03)00475-x BindingDB Entry DOI: 10.7270/Q2PN93V7
Merck Research Laboratories					More data for this Ligand-Target Pair				3D Structure (crystal)
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	0.360	n/a	n/a	n/a	n/a	5.5	30
University of Pennsylvania					Assay Description The inhibition of HIV-1 protease activities were measured with peptide hydrolysis assays. The appearance of products and the corresponding loss of su...				Bioorg Med Chem Lett 16: 859-63 (2006) Article DOI: 10.1016/j.bmcl.2005.11.011 BindingDB Entry DOI: 10.7270/Q29K48FX
University of Pennsylvania					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	6.5	n/a
DuPont Pharmaceuticals Company					Assay Description Enzyme inhibition assay using cyclic ureas to inhibit GAG polyprotein.				Chem Biol 5: 597-608 (1998) Article DOI: 10.1124/jpet.104.066092 BindingDB Entry DOI: 10.7270/Q2R78CK2
DuPont Pharmaceuticals Company					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	n/a	0.00158	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease				J Med Chem 45: 5430-9 (2002) Article DOI: 10.1021/jm0208370 BindingDB Entry DOI: 10.7270/Q2GH9JP4
Uppsala University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against wild type HIV-1 protease				Bioorg Med Chem Lett 12: 529-32 (2002) Article DOI: 10.1016/s0960-894x(01)00824-1 BindingDB Entry DOI: 10.7270/Q2348JPJ
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested in vitro for the ability to inhibit cleavage of a substrate by the wild type HIV-1 protease				Bioorg Med Chem Lett 12: 529-32 (2002) Article DOI: 10.1016/s0960-894x(01)00824-1 BindingDB Entry DOI: 10.7270/Q2348JPJ
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against mutant HIV-1 (A-44)protease				Bioorg Med Chem Lett 12: 529-32 (2002) Article DOI: 10.1016/s0960-894x(01)00824-1 BindingDB Entry DOI: 10.7270/Q2348JPJ
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	0.560	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Evaluated for the inhibition of HIV protease				J Med Chem 37: 3443-51 (1994) Article DOI: 10.1021/jm00047a001 BindingDB Entry DOI: 10.7270/Q24J0D5K
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory concentration of the compound to prevent cleavage of a substrate by the protease enzyme				Bioorg Med Chem Lett 10: 1527-30 (2000) Article DOI: 10.1016/s0960-894x(00)00276-6 BindingDB Entry DOI: 10.7270/Q2542MTH
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested in vitro for potential potency against PI-resistant HIV virus by A-44 mutant enzyme variant				Bioorg Med Chem Lett 12: 529-32 (2002) Article DOI: 10.1016/s0960-894x(01)00824-1 BindingDB Entry DOI: 10.7270/Q2348JPJ
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration required to inhibit cleavage of a substrate by the wild-type HIV-1 Protease				Bioorg Med Chem Lett 12: 2419-22 (2002) Article DOI: 10.1016/s0960-894x(02)00424-9 BindingDB Entry DOI: 10.7270/Q2PV6JQR
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 3A (Homo sapiens (Human))	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of cytochrome P450 3A4				Bioorg Med Chem Lett 12: 2423-6 (2002) Article DOI: 10.1016/s0960-894x(02)00425-0 BindingDB Entry DOI: 10.7270/Q2K35T0R
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (2D6) (Homo sapiens (Human))	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of cytochrome P450 2D6				Bioorg Med Chem Lett 12: 2423-6 (2002) Article DOI: 10.1016/s0960-894x(02)00425-0 BindingDB Entry DOI: 10.7270/Q2K35T0R
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV protease of HIV V-18C mutant strain				Bioorg Med Chem Lett 13: 1821-4 (2003) Article DOI: 10.1016/s0960-894x(03)00262-2 BindingDB Entry DOI: 10.7270/Q27S7N41
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV protease of HIV V-18C mutant strain				Bioorg Med Chem Lett 13: 1821-4 (2003) Article DOI: 10.1016/s0960-894x(03)00262-2 BindingDB Entry DOI: 10.7270/Q27S7N41
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV protease of HIV V-18C mutant strain				Bioorg Med Chem Lett 13: 1821-4 (2003) Article DOI: 10.1016/s0960-894x(03)00262-2 BindingDB Entry DOI: 10.7270/Q27S7N41
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article	n/a	n/a	0.410	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Human Immunodeficiency virus-1 protease				Bioorg Med Chem Lett 4: 2769-2774 (1994) Article DOI: 10.1016/S0960-894X(01)80592-8 BindingDB Entry DOI: 10.7270/Q25B02F8
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
University College Dublin Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 12: 1763-6 (2002) Article DOI: 10.1016/s0960-894x(02)00220-2 BindingDB Entry DOI: 10.7270/Q22R3S65
University College Dublin Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of HIV-1 protease				J Med Chem 40: 2440-4 (1997) Article DOI: 10.1021/jm970195u BindingDB Entry DOI: 10.7270/Q2WD417W
University of Pennsylvania Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Evaluated for the inhibition of Protease				J Med Chem 43: 3386-99 (2000) Article DOI: 10.1021/jm9903848 BindingDB Entry DOI: 10.7270/Q23J3DP4
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	0.410	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV-1 protease in vitro.				J Med Chem 43: 3386-99 (2000) Article DOI: 10.1021/jm9903848 BindingDB Entry DOI: 10.7270/Q23J3DP4
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of virion associated RT activity relative to untreated, infected control in PBMC cells infected with HIV-1 237288 strain				J Med Chem 43: 3495-504 (2000) Article DOI: 10.1021/jm000013n BindingDB Entry DOI: 10.7270/Q2KH0P1S
The University of Queensland Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of virion associated RT activity relative to untreated, infected control in MT2 cells infected with HIV-1 237288 strain				J Med Chem 43: 3495-504 (2000) Article DOI: 10.1021/jm000013n BindingDB Entry DOI: 10.7270/Q2KH0P1S
The University of Queensland Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	1.07	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity for human immunodeficiency virus type 1 protease				J Med Chem 47: 5953-61 (2004) Article DOI: 10.1021/jm0499110 BindingDB Entry DOI: 10.7270/Q2FQ9XDV
Uppsala University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
P-glycoprotein 1 (Homo sapiens (Human))	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) (Digoxin: 5 uM) in Caco-2 cells				Drug Metab Dispos 28: 655-60 (2000) BindingDB Entry DOI: 10.7270/Q2959JTX
Vanderbilt University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Multidrug and toxin extrusion protein 2 (Homo sapiens (Human))	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay				J Med Chem 56: 781-95 (2013) Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Multidrug and toxin extrusion protein 1 (Homo sapiens (Human))	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay				J Med Chem 56: 781-95 (2013) Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Multidrug and toxin extrusion protein 2 (Homo sapiens (Human))	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells up to 500 uM after 1.5 mins by fluorescence assay				J Med Chem 56: 781-95 (2013) Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Solute carrier family 22 member 3 (Homo sapiens (Human))	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human OCT3-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay				J Med Chem 56: 781-95 (2013) Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Adrenergic Alpha (Homo sapiens (Human))	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.08E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human OCT1-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay				J Med Chem 56: 781-95 (2013) Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ
University of California Curated by ChEMBL					More data for this Ligand-Target Pair

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Activity Spreadsheet -- ITC Data from BindingDB

Found 18 hits for monomerid = 517
Cell (A)	Syringe (B)	Cell Links	Syringe Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
HIV-1 Protease Mutant (V82F/I84V) (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)	GoogleScholar PDB	CHEBI MMDB PC cid PC sid PDB	-9.19	-15.1	5.89	n/a	5	25
The Johns Hopkins University		GoogleScholar PDB	CHEBI MMDB PC cid PC sid PDB	Biochemistry 39: 11876-83 (2000)
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)	GoogleScholar PDB	CHEBI MMDB PC cid PC sid PDB	-11.8	-15.7	3.89	n/a	5	25
The Johns Hopkins University		GoogleScholar PDB	CHEBI MMDB PC cid PC sid PDB	Biochemistry 39: 11876-83 (2000)
HIV-1 Protease Mutant (M46I/I54V) (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)	GoogleScholar PDB	CHEBI MMDB PC cid PC sid PDB	-12.2	-15.7	3.49	8.95	5	25
The Johns Hopkins University		GoogleScholar PDB	CHEBI MMDB PC cid PC sid PDB	Biochemistry 42: 13659-66 (2003)
HIV-1 Protease B Subtype (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)	GoogleScholar PDB	CHEBI MMDB PC cid PC sid PDB	-12.7	-14.8	2.10	9.32	5	25
The Johns Hopkins University		GoogleScholar PDB	CHEBI MMDB PC cid PC sid PDB	Biochemistry 41: 8613-9 (2002)
HIV-1 Protease C Subtype (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)	GoogleScholar PDB	CHEBI MMDB PC cid PC sid PDB	-12.1	-14.5	2.40	8.85	5	25
The Johns Hopkins University		GoogleScholar PDB	CHEBI MMDB PC cid PC sid PDB	Biochemistry 41: 8613-9 (2002)
HIV-1 Protease A Subtype (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)	GoogleScholar PDB	CHEBI MMDB PC cid PC sid PDB	-11.6	-14.2	2.60	8.49	5	25
The Johns Hopkins University		GoogleScholar PDB	CHEBI MMDB PC cid PC sid PDB	Biochemistry 41: 8613-9 (2002)
HIV-1 Protease B Subtype Mutant (V82F/I84V) (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)	GoogleScholar PDB	CHEBI MMDB PC cid PC sid PDB	-10.2	-13.7	3.49	7.49	5	25
The Johns Hopkins University		GoogleScholar PDB	CHEBI MMDB PC cid PC sid PDB	Biochemistry 41: 8613-9 (2002)
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)	GoogleScholar PDB	CHEBI MMDB PC cid PC sid PDB	-12.7	-14.8	2.10	9.32	5	25
The Johns Hopkins University		GoogleScholar PDB	CHEBI MMDB PC cid PC sid PDB	Biochemistry 42: 631-8 (2003)
HIV-1 Protease Mutant, MDR-HM (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)	GoogleScholar PDB	CHEBI MMDB PC cid PC sid PDB	-9.28	-17.7	8.39	6.81	5	25
The Johns Hopkins University		GoogleScholar PDB	CHEBI MMDB PC cid PC sid PDB	Biochemistry 42: 13659-66 (2003)
HIV-1 Protease Mutant, MDR-QM (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)	GoogleScholar PDB	CHEBI MMDB PC cid PC sid PDB	-10.4	-16.8	6.39	7.65	5	25
The Johns Hopkins University		GoogleScholar PDB	CHEBI MMDB PC cid PC sid PDB	Biochemistry 42: 13659-66 (2003)
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)	GoogleScholar PDB	CHEBI MMDB PC cid PC sid PDB	-12.4	-14.2	1.80	9.11	5	25
The Johns Hopkins University		GoogleScholar PDB	CHEBI MMDB PC cid PC sid PDB	Biochemistry 42: 13659-66 (2003)
HIV-1 Protease Mutant (V82A/I84V) (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)	GoogleScholar PDB	CHEBI MMDB PC cid PC sid PDB	-10.8	-14.5	3.69	7.93	5	25
The Johns Hopkins University		GoogleScholar PDB	CHEBI MMDB PC cid PC sid PDB	Biochemistry 42: 13659-66 (2003)
HIV-1 Protease Mutant (L10I/L90M) (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)	GoogleScholar PDB	CHEBI MMDB PC cid PC sid PDB	-11.8	-14.8	3.00	8.63	5	25
The Johns Hopkins University		GoogleScholar PDB	CHEBI MMDB PC cid PC sid PDB	Biochemistry 42: 13659-66 (2003)
HIV-1 Protease C Subtype Mutant (V82F/I84V) (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)	GoogleScholar PDB	CHEBI MMDB PC cid PC sid PDB	-9.48	-12.6	3.09	7	5	25
The Johns Hopkins University		GoogleScholar PDB	CHEBI MMDB PC cid PC sid PDB	Biochemistry 41: 8613-9 (2002)
HIV-1 Protease Mutant, NAM-10 (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)	GoogleScholar	CHEBI MMDB PC cid PC sid PDB	-8.54	-14.7	6.15	6.27	5	25
The Johns Hopkins University		GoogleScholar	CHEBI MMDB PC cid PC sid PDB	Biochemistry 42: 631-8 (2003)
HIV-1 Protease Mutant, ANAM-11 (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)	GoogleScholar	CHEBI MMDB PC cid PC sid PDB	-7.79	-13.4	5.59	5.72	5	25
The Johns Hopkins University		GoogleScholar	CHEBI MMDB PC cid PC sid PDB	Biochemistry 42: 631-8 (2003)
HIV-1 Protease Mutant, A-1 (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)	GoogleScholar PDB	CHEBI MMDB PC cid PC sid PDB	-11.9	-15.5	3.59	8.75	5	25
The Johns Hopkins University		GoogleScholar PDB	CHEBI MMDB PC cid PC sid PDB	Biochemistry 42: 631-8 (2003)
HIV-1 Protease A Subtype Mutant (V82F/I84V) (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)	GoogleScholar PDB	CHEBI MMDB PC cid PC sid PDB	-9.19	-12.1	2.90	6.72	5	25
The Johns Hopkins University		GoogleScholar PDB	CHEBI MMDB PC cid PC sid PDB	Biochemistry 41: 8613-9 (2002)