Affinity Data by PDB ID

PDB code 2BPX

Identical Ligands in BindingDB

Found 98 hits Enzyme Inhibition Constant Data
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Dimer of Gag-Pol polyprotein [501-599,M537I,A572V] (97/99 = 98%)^† (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/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	2	-51.6	n/a	n/a	n/a	n/a	n/a	4.7	37
University of Florida College of Medicine					Assay Description The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate.				Biochemistry 42: 15029-35 (2003) Article DOI: 10.1021/bi035701y BindingDB Entry DOI: 10.7270/Q2V122ZV
University of Florida College of Medicine					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [501-599,M537I] (98/99 = 99%)^† (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/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	2.70	-50.9	n/a	n/a	n/a	n/a	n/a	4.7	37
University of Florida College of Medicine					Assay Description The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate.				Biochemistry 42: 15029-35 (2003) Article DOI: 10.1021/bi035701y BindingDB Entry DOI: 10.7270/Q2V122ZV
University of Florida College of Medicine					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [501-599,A572V] (98/99 = 99%)^† (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/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	2.80	-50.8	n/a	n/a	n/a	n/a	n/a	4.7	37
University of Florida College of Medicine					Assay Description The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate.				Biochemistry 42: 15029-35 (2003) Article DOI: 10.1021/bi035701y BindingDB Entry DOI: 10.7270/Q2V122ZV
University of Florida College of Medicine					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [501-599] (99/99 = 100%)^† (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/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	3.10	-50.5	n/a	n/a	n/a	n/a	n/a	4.7	37
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)
Dimer of Gag-Pol polyprotein [501-599] (99/99 = 100%)^† (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/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	3.10	-50.5	n/a	n/a	n/a	n/a	n/a	4.7	37
University of Florida College of Medicine					Assay Description The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate.				Biochemistry 42: 15029-35 (2003) Article DOI: 10.1021/bi035701y BindingDB Entry DOI: 10.7270/Q2V122ZV
University of Florida College of Medicine					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587] (98/99 = 99%)^† (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/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	3.10	-50.5	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)
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A,D531N] (93/99 = 94%)^† (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/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	4.90	-49.3	n/a	n/a	n/a	n/a	n/a	4.7	37
University of Florida College of Medicine					Assay Description The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate.				Biochemistry 42: 15029-35 (2003) Article DOI: 10.1021/bi035701y BindingDB Entry DOI: 10.7270/Q2V122ZV
University of Florida College of Medicine					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [501-599,D531N,A572V] (97/99 = 98%)^† (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/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	5.10	-49.2	n/a	n/a	n/a	n/a	n/a	4.7	37
University of Florida College of Medicine					Assay Description The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate.				Biochemistry 42: 15029-35 (2003) Article DOI: 10.1021/bi035701y BindingDB Entry DOI: 10.7270/Q2V122ZV
University of Florida College of Medicine					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [501-599,D531N,M537I] (97/99 = 98%)^† (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/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	5.10	-49.2	n/a	n/a	n/a	n/a	n/a	4.7	37
University of Florida College of Medicine					Assay Description The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate.				Biochemistry 42: 15029-35 (2003) Article DOI: 10.1021/bi035701y BindingDB Entry DOI: 10.7270/Q2V122ZV
University of Florida College of Medicine					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [482-580,I502K,I528M,T553A] (92/99 = 93%)^† (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/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	6.90	-48.5	n/a	n/a	n/a	n/a	n/a	4.7	37
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)
Dimer of Gag-Pol polyprotein [501-599,D531N,M537I,A572V] (96/99 = 97%)^† (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/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	7.60	-48.2	n/a	n/a	n/a	n/a	n/a	4.7	37
University of Florida College of Medicine					Assay Description The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate.				Biochemistry 42: 15029-35 (2003) Article DOI: 10.1021/bi035701y BindingDB Entry DOI: 10.7270/Q2V122ZV
University of Florida College of Medicine					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [501-599,V583F] (98/99 = 99%)^† (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/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	12	-47.0	n/a	n/a	n/a	n/a	n/a	4.7	37
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)
Dimer of Gag-Pol polyprotein [489-587,K509R,V521I,L522F,M525I,L552P,A560V,V571A,L579M] (90/99 = 91%)^† (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/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	69	-42.5	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)
Dimer of Gag-Pol polyprotein [489-587,K509R,V521I,L522F,M525I,I543V,L552P,A560V,V571A,L579M] (89/99 = 90%)^† (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/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	398	-38.0	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)
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (94/99 = 95%)^† (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/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.540	-52.4	n/a	n/a	n/a	n/a	n/a	5.0	22
Georgia State University					Assay Description The Ki values were obtained from the IC50 values estimated from an inhibitor dose-response curve with the spectroscopic assay and the chromogenic sub...				J Mol Biol 354: 789-800 (2005) Article DOI: 10.1016/j.jmb.2005.09.095 BindingDB Entry DOI: 10.7270/Q2KP80CR
Georgia State University					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587,Q496K] (97/99 = 98%)^† (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/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	0.543	-52.9	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				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A,G574S] (93/99 = 94%)^† (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/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.550	-52.3	n/a	n/a	n/a	n/a	n/a	5.0	22
Georgia State University					Assay Description The Ki values were obtained from the IC50 values estimated from an inhibitor dose-response curve with the spectroscopic assay and the chromogenic sub...				J Mol Biol 354: 789-800 (2005) Article DOI: 10.1016/j.jmb.2005.09.095 BindingDB Entry DOI: 10.7270/Q2KP80CR
Georgia State University					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A,L525I] (93/99 = 94%)^† (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/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.40	-50.0	n/a	n/a	n/a	n/a	n/a	5.0	22
Georgia State University					Assay Description The Ki values were obtained from the IC50 values estimated from an inhibitor dose-response curve with the spectroscopic assay and the chromogenic sub...				J Mol Biol 354: 789-800 (2005) Article DOI: 10.1016/j.jmb.2005.09.095 BindingDB Entry DOI: 10.7270/Q2KP80CR
Georgia State University					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587,Q496K,I573V] (96/99 = 97%)^† (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/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	4.40	-47.7	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				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A,I551V] (93/99 = 94%)^† (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/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	27	-42.8	n/a	n/a	n/a	n/a	n/a	5.0	22
Georgia State University					Assay Description The Ki values were obtained from the IC50 values estimated from an inhibitor dose-response curve with the spectroscopic assay and the chromogenic sub...				J Mol Biol 354: 789-800 (2005) Article DOI: 10.1016/j.jmb.2005.09.095 BindingDB Entry DOI: 10.7270/Q2KP80CR
Georgia State University					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587,V571I] (97/99 = 98%)^† (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/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	0.0520	-59.7	n/a	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 ...				Proc Natl Acad Sci U S A 91: 4096-100 (1994) Article DOI: 10.1073/pnas.91.9.4096 BindingDB Entry DOI: 10.7270/Q23F4MS9
Merck Research Laboratories					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587,L565M] (97/99 = 98%)^† (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/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	0.114	-57.7	n/a	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 ...				Proc Natl Acad Sci U S A 91: 4096-100 (1994) Article DOI: 10.1073/pnas.91.9.4096 BindingDB Entry DOI: 10.7270/Q23F4MS9
Merck Research Laboratories					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587,I539L] (97/99 = 98%)^† (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/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	0.323	-55.1	n/a	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 ...				Proc Natl Acad Sci U S A 91: 4096-100 (1994) Article DOI: 10.1073/pnas.91.9.4096 BindingDB Entry DOI: 10.7270/Q23F4MS9
Merck Research Laboratories					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587] (98/99 = 99%)^† (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.358	-54.8	n/a	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 ...				Proc Natl Acad Sci U S A 91: 4096-100 (1994) Article DOI: 10.1073/pnas.91.9.4096 BindingDB Entry DOI: 10.7270/Q23F4MS9
Merck Research Laboratories					More data for this Ligand-Target Pair				3D Structure (crystal)
HIV-1 protease (88/99 = 89%)^† (Human immunodeficiency virus)	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 AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	5.5	n/a
DuPont Merck Pharmaceutical Company					Assay Description Protease inhibition fluorescence-based assay using cyclic ureas to inhibit HIV-protease.				Chem Biol 5: 597-608 (1998) Article DOI: 10.1016/s1074-5521(98)90117-x BindingDB Entry DOI: 10.7270/Q2R78CK2
DuPont Merck Pharmaceutical Company					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587,L512I] (97/99 = 98%)^† (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/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	0.585	-53.6	n/a	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 ...				Proc Natl Acad Sci U S A 91: 4096-100 (1994) Article DOI: 10.1073/pnas.91.9.4096 BindingDB Entry DOI: 10.7270/Q23F4MS9
Merck Research Laboratories					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587,V521I] (97/99 = 98%)^† (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/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	2.64	-49.8	n/a	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 ...				Proc Natl Acad Sci U S A 91: 4096-100 (1994) Article DOI: 10.1073/pnas.91.9.4096 BindingDB Entry DOI: 10.7270/Q23F4MS9
Merck Research Laboratories					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587,L512V] (97/99 = 98%)^† (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/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	2.81	-49.6	n/a	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 ...				Proc Natl Acad Sci U S A 91: 4096-100 (1994) Article DOI: 10.1073/pnas.91.9.4096 BindingDB Entry DOI: 10.7270/Q23F4MS9
Merck Research Laboratories					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587,I573V] (97/99 = 98%)^† (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/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	3.11	-49.4	n/a	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 ...				Proc Natl Acad Sci U S A 91: 4096-100 (1994) Article DOI: 10.1073/pnas.91.9.4096 BindingDB Entry DOI: 10.7270/Q23F4MS9
Merck Research Laboratories					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587,I536L] (97/99 = 98%)^† (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/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	6.62	-47.5	n/a	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 ...				Proc Natl Acad Sci U S A 91: 4096-100 (1994) Article DOI: 10.1073/pnas.91.9.4096 BindingDB Entry DOI: 10.7270/Q23F4MS9
Merck Research Laboratories					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587] (98/99 = 99%)^† (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	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)
Dimer of Gag-Pol polyprotein [489-587,Q496K] (97/99 = 98%)^† (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/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE 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	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 15: 5311-4 (2005) Article DOI: 10.1016/j.bmcl.2005.08.072 BindingDB Entry DOI: 10.7270/Q26Q1VF8
Merck Research Laboratories					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587,Q496K] (97/99 = 98%)^† (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/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE 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 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				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587,Q496K,L499I,N526S,R530K,M535I,I543V,I551V,L552P,A560V,V566I,V571A,L579M,I582L] (87/99 = 88%)^† (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/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE 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)
Dimer of Gag-Pol polyprotein [489-587,Q496K] (97/99 = 98%)^† (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/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE 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)
Dimer of Gag-Pol polyprotein [489-587,Q496K] (97/99 = 98%)^† (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/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE 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)
Dimer of Gag-Pol polyprotein [489-587,Q496K,L499I,M535I,I543V,Q547E,L552P,I553V,V566I,V571F,I573V,L579M,I582L] (86/99 = 87%)^† (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/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE 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)
Dimer of Gag-Pol polyprotein [501-599] (99/99 = 100%)^† (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/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE 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 All enzyme assays were performed under initial velocity and steady-state conditions. The conditions for the enzyme catalyzed hydrolysis of the cleava...				J Med Chem 46: 1831-44 (2003) Article DOI: 10.1021/jm0204587 BindingDB Entry DOI: 10.7270/Q2GQ6VZC
University of Pennsylvania					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (94/99 = 95%)^† (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/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.600	-54.8	n/a	n/a	n/a	n/a	n/a	5.6	37
Georgia State University					Assay Description The inhibition assays were performed in microtiter plate wells by mixing enzyme and fluorescent peptide substrate in the presence of inhibitor compou...				J Med Chem 49: 1379-87 (2006) Article DOI: 10.1021/jm050943c BindingDB Entry DOI: 10.7270/Q20C4T0V
Georgia State University					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A,V583A] (93/99 = 94%)^† (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/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	1.34	-52.7	n/a	n/a	n/a	n/a	n/a	5.6	37
Georgia State University					Assay Description The inhibition assays were performed in microtiter plate wells by mixing enzyme and fluorescent peptide substrate in the presence of inhibitor compou...				J Med Chem 49: 1379-87 (2006) Article DOI: 10.1021/jm050943c BindingDB Entry DOI: 10.7270/Q20C4T0V
Georgia State University					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A,I585V] (93/99 = 94%)^† (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/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.51	-51.1	n/a	n/a	n/a	n/a	n/a	5.6	37
Georgia State University					Assay Description The inhibition assays were performed in microtiter plate wells by mixing enzyme and fluorescent peptide substrate in the presence of inhibitor compou...				J Med Chem 49: 1379-87 (2006) Article DOI: 10.1021/jm050943c BindingDB Entry DOI: 10.7270/Q20C4T0V
Georgia State University					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A,D531N] (93/99 = 94%)^† (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/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	7	-48.4	n/a	n/a	n/a	n/a	n/a	5.6	37
Georgia State University					Assay Description The inhibition assays were performed in microtiter plate wells by mixing enzyme and fluorescent peptide substrate in the presence of inhibitor compou...				J Med Chem 49: 1379-87 (2006) Article DOI: 10.1021/jm050943c BindingDB Entry DOI: 10.7270/Q20C4T0V
Georgia State University					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A,I551V] (93/99 = 94%)^† (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/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	10.4	-47.4	n/a	n/a	n/a	n/a	n/a	5.6	37
Georgia State University					Assay Description The inhibition assays were performed in microtiter plate wells by mixing enzyme and fluorescent peptide substrate in the presence of inhibitor compou...				J Med Chem 49: 1379-87 (2006) Article DOI: 10.1021/jm050943c BindingDB Entry DOI: 10.7270/Q20C4T0V
Georgia State University					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (94/99 = 95%)^† (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/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.0700	-58.0	n/a	n/a	n/a	n/a	n/a	6.4	25
GlaxoSmithKline					Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...				Bioorg Med Chem Lett 10: 1159-62 (2000) Article DOI: 10.1016/s0960-894x(00)00163-3 BindingDB Entry DOI: 10.7270/Q2X63K5G
GlaxoSmithKline					More data for this Ligand-Target Pair				3D Structure (crystal)
Protease (94/99 = 95%)^† (Human immunodeficiency virus 1 (HIV-1))	BDBM50067593 (CHEBI:44032 \| Crixivan \| Indinavir \| L-735524 \| MK...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of wild-type HIV1 BH10 protease expressed in Escherichia coli by spectrophotometric assay				J Med Chem 51: 4839-43 (2008) Article DOI: 10.1021/jm8002334 BindingDB Entry DOI: 10.7270/Q24B344W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (98/99 = 99%)^† (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/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Dissociation constant obtained by inhibition of Wild-type protease				J Med Chem 43: 3386-99 (2000) BindingDB Entry DOI: 10.7270/Q23J3DP4
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (98/99 = 99%)^† (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/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibitory activity of the compound against HIV-1 protease				J Med Chem 46: 1764-8 (2003) Article DOI: 10.1021/jm020537i BindingDB Entry DOI: 10.7270/Q2805218
Kyoto University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Protease (94/99 = 95%)^† (Human immunodeficiency virus 1 (HIV-1))	BDBM50067593 (CHEBI:44032 \| Crixivan \| Indinavir \| L-735524 \| MK...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli by fluorometric assay				J Med Chem 53: 607-15 (2010) Article DOI: 10.1021/jm901165g BindingDB Entry DOI: 10.7270/Q29Z97R7
Uppsala University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (98/99 = 99%)^† (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/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	0.310	n/a	n/a	1.07	n/a	n/a	1.53E+6	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) BindingDB Entry DOI: 10.7270/Q2GH9JP4
Uppsala University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (98/99 = 99%)^† (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/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition constant 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)
HIV-1 protease (88/99 = 89%)^† (Human immunodeficiency virus)	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 AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York					Assay Description Enzyme inhibition assay for silanediols, carbinols, and indinavir using assay system C.				Chem Biol 8: 1161-6 (2001) Article DOI: 10.1016/S1074-5521(01)00079-5 BindingDB Entry DOI: 10.7270/Q20V8B63
State University of New York					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (98/99 = 99%)^† (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/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to inhibit the purified wild-type HIV-1 Protease				J Med Chem 40: 181-91 (1997) Article DOI: 10.1021/jm960586t BindingDB Entry DOI: 10.7270/Q2ST7NZ3
DuPont Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (98/99 = 99%)^† (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/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Affinity of the compound against HIV protease				J Med Chem 40: 4079-88 (1998) Article DOI: 10.1021/jm970288b BindingDB Entry DOI: 10.7270/Q2XS5TG1
DuPont Merck Pharmaceutical Company Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (98/99 = 99%)^† (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/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 39: 4299-312 (1996) Article DOI: 10.1021/jm9602773 BindingDB Entry DOI: 10.7270/Q2T152QJ
DuPont Merck Pharmaceutical Company Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587,G537V,H558K,V571A] (95/99 = 96%)^† (Human immunodeficiency virus)	BDBM50067593 (CHEBI:44032 \| Crixivan \| Indinavir \| L-735524 \| MK...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-National Chemical Laboratory Curated by ChEMBL					Assay Description Inhibition of recombinant HIV protease expressed in inclusion bodies of Escherichia coli BL21 (DE3)				J Med Chem 61: 3779-3798 (2018) Article DOI: 10.1021/acs.jmedchem.7b00718 BindingDB Entry DOI: 10.7270/Q2GT5QTK
CSIR-National Chemical Laboratory Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Protease (94/99 = 95%)^† (Human immunodeficiency virus 1 (HIV-1))	BDBM50067593 (CHEBI:44032 \| Crixivan \| Indinavir \| L-735524 \| MK...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli				J Med Chem 51: 1053-7 (2008) Article DOI: 10.1021/jm070680h BindingDB Entry DOI: 10.7270/Q20Z7629
Uppsala University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (98/99 = 99%)^† (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/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	0.520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Queensland Curated by ChEMBL					Assay Description Binding affinity against HIV-1 protease enzyme.				J Med Chem 43: 305-41 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q2JD4XH4
University of Queensland Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Protease (94/99 = 95%)^† (Human immunodeficiency virus 1 (HIV-1))	BDBM50067593 (CHEBI:44032 \| Crixivan \| Indinavir \| L-735524 \| MK...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-Universit£t Marburg Curated by ChEMBL					Assay Description Inhibition of HIV1 protease				J Med Chem 57: 6266-72 (2014) Article DOI: 10.1021/jm500402c BindingDB Entry DOI: 10.7270/Q270836R
Philipps-Universit£t Marburg Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Protease (94/99 = 95%)^† (Human immunodeficiency virus 1 (HIV-1))	BDBM50067593 (CHEBI:44032 \| Crixivan \| Indinavir \| L-735524 \| MK...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.739	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of HIV1 protease				Bioorg Med Chem 16: 1299-308 (2008) Article DOI: 10.1016/j.bmc.2007.10.062 BindingDB Entry DOI: 10.7270/Q2RJ4N8X
Dainippon Sumitomo Pharma Co., Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A,L591M] (93/99 = 94%)^† (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/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia State University					Assay Description The inhibition assays were performed in microtiter plate wells by mixing enzyme and fluorescent peptide substrate in the presence of inhibitor compou...				J Med Chem 49: 1379-87 (2006) Article DOI: 10.1021/jm050943c BindingDB Entry DOI: 10.7270/Q20C4T0V
Georgia State University					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (98/99 = 99%)^† (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/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Dissociation constant obtained by inhibition of mutant HIV-protease (A-44)				J Med Chem 43: 3386-99 (2000) BindingDB Entry DOI: 10.7270/Q23J3DP4
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (98/99 = 99%)^† (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/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Dissociation constant obtained by inhibition of mutant HIV-protease (V-18)				J Med Chem 43: 3386-99 (2000) BindingDB Entry DOI: 10.7270/Q23J3DP4
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [490-588,L523I,E525D,M526I,I544V,L553H,H559K,L579M] (88/99 = 89%)^† (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/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	42	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)
Gag-Pol polyprotein [489-587] (98/99 = 99%)^† (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/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Dissociation constant obtained by inhibition of mutant HIV-protease (K-60)				J Med Chem 43: 3386-99 (2000) BindingDB Entry DOI: 10.7270/Q23J3DP4
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [482-580,I502K,I528M,T553A,V564F] (91/99 = 92%)^† (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/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE 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)
Dimer of Gag-Pol polyprotein [489-587,K509R,V521I,L522F,M525I,L552P,A560V,V571A,I573V,L579M] (89/99 = 90%)^† (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/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE 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)
Dimer of Gag-Pol polyprotein [490-588,L523I,E525D,M526I,I544V,L553H,H559K,V572F,L579M] (87/99 = 88%)^† (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/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE 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)
Dimer of Gag-Pol polyprotein [489-587,K509R,V521I,L522F,M525I,M535I,I543V,L552P,A560V,V571A,I573V,L579M] (87/99 = 88%)^† (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/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE 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)
Dimer of Gag-Pol polyprotein [489-587,K509R,V521I,L522F,M525I,I543V,L552P,A560V,V571A,I573V,L579M] (88/99 = 89%)^† (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/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE 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)
Gag-Pol polyprotein [489-587] (98/99 = 99%)^† (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/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE 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)
Gag-Pol polyprotein [489-587] (98/99 = 99%)^† (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/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB 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) BindingDB Entry DOI: 10.7270/Q23J3DP4
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (98/99 = 99%)^† (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/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB 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) BindingDB Entry DOI: 10.7270/Q23J3DP4
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (98/99 = 99%)^† (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/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB 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) BindingDB Entry DOI: 10.7270/Q2KH0P1S
The University of Queensland Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (98/99 = 99%)^† (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/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB 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) BindingDB Entry DOI: 10.7270/Q2KH0P1S
The University of Queensland Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (98/99 = 99%)^† (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/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE 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)
Protease (94/99 = 95%)^† (Human immunodeficiency virus 1 (HIV-1))	BDBM50067593 (CHEBI:44032 \| Crixivan \| Indinavir \| L-735524 \| MK...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	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 wild type HIV1 NL4-3 protease				Bioorg Med Chem Lett 17: 5432-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.040 BindingDB Entry DOI: 10.7270/Q2DF6V0F
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Protease (94/99 = 95%)^† (Human immunodeficiency virus 1 (HIV-1))	BDBM50067593 (CHEBI:44032 \| Crixivan \| Indinavir \| L-735524 \| MK...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of HIV1 protease				Bioorg Med Chem Lett 18: 5406-10 (2008) Article DOI: 10.1016/j.bmcl.2008.09.044 BindingDB Entry DOI: 10.7270/Q29K4F1M
University of Minnesota Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Protease (94/99 = 95%)^† (Human immunodeficiency virus 1 (HIV-1))	BDBM50067593 (CHEBI:44032 \| Crixivan \| Indinavir \| L-735524 \| MK...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Binding affinity to Human immunodeficiency virus 1 protease by SPR biosensor interaction analysis at pH 7.4				Bioorg Med Chem 20: 4838-47 (2012) Article DOI: 10.1016/j.bmc.2012.05.070 BindingDB Entry DOI: 10.7270/Q20P12WC
Universidad de Santiago de Compostela Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Protease (94/99 = 95%)^† (Human immunodeficiency virus 1 (HIV-1))	BDBM50067593 (CHEBI:44032 \| Crixivan \| Indinavir \| L-735524 \| MK...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Binding affinity to Human immunodeficiency virus 1 protease by SPR biosensor interaction analysis at pH 5.1				Bioorg Med Chem 20: 4838-47 (2012) Article DOI: 10.1016/j.bmc.2012.05.070 BindingDB Entry DOI: 10.7270/Q20P12WC
Universidad de Santiago de Compostela Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Protease (94/99 = 95%)^† (Human immunodeficiency virus 1 (HIV-1))	BDBM50067593 (CHEBI:44032 \| Crixivan \| Indinavir \| L-735524 \| MK...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Binding affinity to Human immunodeficiency virus 1 protease by SPR biosensor interaction analysis at pH 4.1				Bioorg Med Chem 20: 4838-47 (2012) Article DOI: 10.1016/j.bmc.2012.05.070 BindingDB Entry DOI: 10.7270/Q20P12WC
Universidad de Santiago de Compostela Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Protease (94/99 = 95%)^† (Human immunodeficiency virus 1 (HIV-1))	BDBM50067593 (CHEBI:44032 \| Crixivan \| Indinavir \| L-735524 \| MK...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Institute of Biotechnology Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant protease				Eur J Med Chem 45: 4096-103 (2010) Article DOI: 10.1016/j.ejmech.2010.05.070 BindingDB Entry DOI: 10.7270/Q2C53PP4
Beijing Institute of Biotechnology Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Protease (94/99 = 95%)^† (Human immunodeficiency virus 1 (HIV-1))	BDBM50067593 (CHEBI:44032 \| Crixivan \| Indinavir \| L-735524 \| MK...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of purified HIV-1 protease using [Arg-Glu(EDANS)-Ser-Gin-Asn-Tyr-Ile-Val-Gin-Lys(dabcyl)-Arg) as fluorogenic substrate by fluorescence ass...				Bioorg Med Chem Lett 24: 2465-8 (2014) Article DOI: 10.1016/j.bmcl.2014.04.008 BindingDB Entry DOI: 10.7270/Q20C4ZRC
Shandong University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (98/99 = 99%)^† (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/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB 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) BindingDB Entry DOI: 10.7270/Q22R3S65
University College Dublin Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (98/99 = 99%)^† (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/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE 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)
Protease (94/99 = 95%)^† (Human immunodeficiency virus 1 (HIV-1))	BDBM50067593 (CHEBI:44032 \| Crixivan \| Indinavir \| L-735524 \| MK...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.880	n/a	n/a	n/a	n/a	n/a	25
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli incubated for 20 to 30 mins at room temperature using (Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-I...				Bioorg Med Chem Lett 25: 1880-3 (2015) Article DOI: 10.1016/j.bmcl.2015.03.047 BindingDB Entry DOI: 10.7270/Q2FT8NQ7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (98/99 = 99%)^† (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/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB 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) BindingDB Entry DOI: 10.7270/Q27S7N41
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (98/99 = 99%)^† (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/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB 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) BindingDB Entry DOI: 10.7270/Q2PV6JQR
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (98/99 = 99%)^† (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/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB 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) BindingDB Entry DOI: 10.7270/Q27S7N41
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (98/99 = 99%)^† (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/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB 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) BindingDB Entry DOI: 10.7270/Q27S7N41
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (98/99 = 99%)^† (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/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB 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) BindingDB Entry DOI: 10.7270/Q2348JPJ
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (98/99 = 99%)^† (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/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB 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) BindingDB Entry DOI: 10.7270/Q2542MTH
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (98/99 = 99%)^† (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/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB 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) BindingDB Entry DOI: 10.7270/Q24J0D5K
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (98/99 = 99%)^† (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/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB 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) BindingDB Entry DOI: 10.7270/Q2348JPJ
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (98/99 = 99%)^† (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/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB 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) BindingDB Entry DOI: 10.7270/Q2348JPJ
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (98/99 = 99%)^† (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/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB 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) BindingDB Entry DOI: 10.7270/Q2348JPJ
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (98/99 = 99%)^† (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/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB 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) BindingDB Entry DOI: 10.7270/Q2GH9JP4
Uppsala University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587,Q496K,L499I,M535I,I543V,Q547E,L552P,I553V,V566I,V571F,I573V,L579M,I582L] (86/99 = 87%)^† (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/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE 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)
Dimer of Gag-Pol polyprotein [489-587,Q496K,L499I,N526S,R530K,M535I,I543V,I551V,L552P,A560V,V566I,V571A,L579M,I582L] (87/99 = 88%)^† (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/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE 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)

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_* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output