Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM8125 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.0160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia State University Curated by ChEMBL | Assay Description Inhibition of HIV1 protease | J Med Chem 55: 3387-97 (2012) Article DOI: 10.1021/jm300072d BindingDB Entry DOI: 10.7270/Q2T43WZW | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A,L591M] (Human immunodeficiency virus type 1) | BDBM8125 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.0300 | 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 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Monocarboxylate transporter 1 (Homo sapiens (Human)) | BDBM22000 (7-[(3-hydroxypropyl)sulfanyl]-2-methyl-4-(2-methyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents Similars | PubMed | 0.0955 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood Curated by ChEMBL | Assay Description Displacement of [3H]5-[(3-hydroxypropyl)thio]-3-methyl-1-[2-(methyl-t)propyl-2,3-t2]-6-(1-naphthalenylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-... | Nat Chem Biol 1: 371-6 (2005) BindingDB Entry DOI: 10.7270/Q2MC9063 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1) | BDBM8125 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.220 | -57.3 | 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 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50476647 (CHEMBL178593 | GRL-98065) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB Article PubMed | 0.270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia State University Curated by ChEMBL | Assay Description Inhibition of wild type HIV1 protease | J Med Chem 50: 4509-15 (2007) Article DOI: 10.1021/jm070482q BindingDB Entry DOI: 10.7270/Q21G0Q1W | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Monocarboxylate transporter 1 (Homo sapiens (Human)) | BDBM22001 (5-[(3-hydroxypropyl)sulfanyl]-3-methyl-1-(2-methyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | PubMed | 0.275 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood Curated by ChEMBL | Assay Description Displacement of [3H]5-[(3-hydroxypropyl)thio]-3-methyl-1-[2-(methyl-t)propyl-2,3-t2]-6-(1-naphthalenylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-... | Nat Chem Biol 1: 371-6 (2005) BindingDB Entry DOI: 10.7270/Q2MC9063 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Monocarboxylate transporter 1 (Homo sapiens (Human)) | BDBM22001 (5-[(3-hydroxypropyl)sulfanyl]-3-methyl-1-(2-methyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | PubMed | 0.302 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood Curated by ChEMBL | Assay Description Displacement of [3H]5-[(3-hydroxypropyl)thio]-3-methyl-1-[2-(methyl-t)propyl-2,3-t2]-6-(1-naphthalenylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-... | Nat Chem Biol 1: 371-6 (2005) BindingDB Entry DOI: 10.7270/Q2MC9063 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Monocarboxylate transporter 1 (Homo sapiens (Human)) | BDBM21986 (5-[(3-hydroxypropyl)sulfanyl]-3-methyl-1-(2-methyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood Curated by ChEMBL | Assay Description Displacement of [3H]5-[(3-hydroxypropyl)thio]-3-methyl-1-[2-(methyl-t)propyl-2,3-t2]-6-(1-naphthalenylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-... | Nat Chem Biol 1: 371-6 (2005) BindingDB Entry DOI: 10.7270/Q2MC9063 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Monocarboxylate transporter 1 (Homo sapiens (Human)) | BDBM21986 (5-[(3-hydroxypropyl)sulfanyl]-3-methyl-1-(2-methyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.331 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood Curated by ChEMBL | Assay Description Displacement of [3H]5-[(3-hydroxypropyl)thio]-3-methyl-1-[2-(methyl-t)propyl-2,3-t2]-6-(1-naphthalenylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-... | Nat Chem Biol 1: 371-6 (2005) BindingDB Entry DOI: 10.7270/Q2MC9063 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM8125 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia State University Curated by ChEMBL | Assay Description Inhibition of wild type HIV1 protease | J Med Chem 50: 4509-15 (2007) Article DOI: 10.1021/jm070482q BindingDB Entry DOI: 10.7270/Q21G0Q1W | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Monocarboxylate transporter 1 (Homo sapiens (Human)) | BDBM22002 (5-[(3-hydroxypropyl)sulfanyl]-3-methyl-1-(2-methyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 0.355 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood Curated by ChEMBL | Assay Description Displacement of [3H]5-[(3-hydroxypropyl)thio]-3-methyl-1-[2-(methyl-t)propyl-2,3-t2]-6-(1-naphthalenylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-... | Nat Chem Biol 1: 371-6 (2005) BindingDB Entry DOI: 10.7270/Q2MC9063 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Monocarboxylate transporter 1 (Homo sapiens (Human)) | BDBM22002 (5-[(3-hydroxypropyl)sulfanyl]-3-methyl-1-(2-methyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 0.355 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood Curated by ChEMBL | Assay Description Displacement of [3H]5-[(3-hydroxypropyl)thio]-3-methyl-1-[2-(methyl-t)propyl-2,3-t2]-6-(1-naphthalenylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-... | Nat Chem Biol 1: 371-6 (2005) BindingDB Entry DOI: 10.7270/Q2MC9063 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Stromelysin-1 (Homo sapiens (Human)) | BDBM50289127 ((2S,4R)-4-(3-Methyl-1-phenylcarbamoyl-butylcarbamo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 0.360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of matrix metalloproteinase-3(MMP-3). | Bioorg Med Chem Lett 6: 803-806 (1996) Article DOI: 10.1016/0960-894X(96)00109-6 BindingDB Entry DOI: 10.7270/Q2HM58FH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM31817 (GRL-02031 | methyl-2-pyrrolidinone, 19b) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 0.440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia State University Curated by ChEMBL | Assay Description Inhibition of HIV1 wild type protease using Abz-Thr-Ile-Nle-p-nitro-Phe-Gln-Arg-NH2 as substrate after 5 mins by spectrophotometry | J Med Chem 55: 3387-97 (2012) Article DOI: 10.1021/jm300072d BindingDB Entry DOI: 10.7270/Q2T43WZW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 protease (Human immunodeficiency virus) | BDBM31817 (GRL-02031 | methyl-2-pyrrolidinone, 19b) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 0.460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia State University Curated by ChEMBL | Assay Description Inhibition of HIV1 protease I47V mutant using Abz-Thr-Ile-Nle-p-nitro-Phe-Gln-Arg-NH2 as substrate after 5 mins by spectrophotometry | J Med Chem 55: 3387-97 (2012) Article DOI: 10.1021/jm300072d BindingDB Entry DOI: 10.7270/Q2T43WZW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50489369 (CHEMBL1232930 | GRL-0519) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia State University Curated by ChEMBL | Assay Description Inhibition of HIV-1 wildtype protease using Abz-Thr-Ile-Nle-p-nitro-Phe-Gln-Arg-NH2 as substrate incubated for 5 mins prior to substrate addition mea... | J Med Chem 56: 1074-83 (2013) Article DOI: 10.1021/jm301519z BindingDB Entry DOI: 10.7270/Q2542RH4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 protease (Human immunodeficiency virus) | BDBM8125 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia State University Curated by ChEMBL | Assay Description Inhibition of HIV1 protease V82A mutant | J Med Chem 50: 4509-15 (2007) Article DOI: 10.1021/jm070482q BindingDB Entry DOI: 10.7270/Q21G0Q1W | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1) | BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) | 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 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A,G574S] (Human immunodeficiency virus type 1) | BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) | 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 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
HIV-1 protease (Human immunodeficiency virus) | BDBM8125 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia State University Curated by ChEMBL | Assay Description Inhibition of HIV1 protease I84V mutant | J Med Chem 50: 4509-15 (2007) Article DOI: 10.1021/jm070482q BindingDB Entry DOI: 10.7270/Q21G0Q1W | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1) | BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) | 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 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
HIV-1 protease (Human immunodeficiency virus) | BDBM31817 (GRL-02031 | methyl-2-pyrrolidinone, 19b) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 0.650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia State University Curated by ChEMBL | Assay Description Inhibition of HIV1 protease V82A mutant using Abz-Thr-Ile-Nle-p-nitro-Phe-Gln-Arg-NH2 as substrate after 5 mins by spectrophotometry | J Med Chem 55: 3387-97 (2012) Article DOI: 10.1021/jm300072d BindingDB Entry DOI: 10.7270/Q2T43WZW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Monocarboxylate transporter 1 (Homo sapiens (Human)) | BDBM22000 (7-[(3-hydroxypropyl)sulfanyl]-2-methyl-4-(2-methyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents Similars | PubMed | 0.708 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood Curated by ChEMBL | Assay Description Displacement of [3H]5-[(3-hydroxypropyl)thio]-3-methyl-1-[2-(methyl-t)propyl-2,3-t2]-6-(1-naphthalenylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-... | Nat Chem Biol 1: 371-6 (2005) BindingDB Entry DOI: 10.7270/Q2MC9063 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 protease (Human immunodeficiency virus) | BDBM31817 (GRL-02031 | methyl-2-pyrrolidinone, 19b) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia State University Curated by ChEMBL | Assay Description Inhibition of HIV1 protease L76V mutant using Abz-Thr-Ile-Nle-p-nitro-Phe-Gln-Arg-NH2 as substrate after 5 mins by spectrophotometry | J Med Chem 55: 3387-97 (2012) Article DOI: 10.1021/jm300072d BindingDB Entry DOI: 10.7270/Q2T43WZW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 protease (Human immunodeficiency virus) | BDBM50476647 (CHEMBL178593 | GRL-98065) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB Article PubMed | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia State University Curated by ChEMBL | Assay Description Inhibition of HIV1 protease V82A mutant | J Med Chem 50: 4509-15 (2007) Article DOI: 10.1021/jm070482q BindingDB Entry DOI: 10.7270/Q21G0Q1W | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A,V583A] (Human immunodeficiency virus type 1) | BDBM8125 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.800 | -54.0 | 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 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A,L591M] (Human immunodeficiency virus type 1) | BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) | 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 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
HIV-1 protease (Human immunodeficiency virus) | BDBM50476647 (CHEMBL178593 | GRL-98065) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB Article PubMed | 0.850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia State University Curated by ChEMBL | Assay Description Inhibition of HIV1 protease I84V mutant | J Med Chem 50: 4509-15 (2007) Article DOI: 10.1021/jm070482q BindingDB Entry DOI: 10.7270/Q21G0Q1W | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
HIV-1 protease (Human immunodeficiency virus) | BDBM31817 (GRL-02031 | methyl-2-pyrrolidinone, 19b) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 0.920 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia State University Curated by ChEMBL | Assay Description Inhibition of HIV1 protease N88D mutant using Abz-Thr-Ile-Nle-p-nitro-Phe-Gln-Arg-NH2 as substrate after 5 mins by spectrophotometry | J Med Chem 55: 3387-97 (2012) Article DOI: 10.1021/jm300072d BindingDB Entry DOI: 10.7270/Q2T43WZW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A,I585V] (Human immunodeficiency virus type 1) | BDBM8125 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 1.10 | -53.2 | 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 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Monocarboxylate transporter 1 (Homo sapiens (Human)) | BDBM21986 (5-[(3-hydroxypropyl)sulfanyl]-3-methyl-1-(2-methyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 1.17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood Curated by ChEMBL | Assay Description Displacement of [3H]5-[(3-hydroxypropyl)thio]-3-methyl-1-[2-(methyl-t)propyl-2,3-t2]-6-(1-naphthalenylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-... | Nat Chem Biol 1: 371-6 (2005) BindingDB Entry DOI: 10.7270/Q2MC9063 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 protease (Human immunodeficiency virus) | BDBM50489369 (CHEMBL1232930 | GRL-0519) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia State University Curated by ChEMBL | Assay Description Inhibition of HIV-1 protease R8Q mutant using Abz-Thr-Ile-Nle-p-nitro-Phe-Gln-Arg-NH2 as substrate incubated for 5 mins prior to substrate addition m... | J Med Chem 56: 1074-83 (2013) Article DOI: 10.1021/jm301519z BindingDB Entry DOI: 10.7270/Q2542RH4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 protease (Human immunodeficiency virus) | BDBM8125 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia State University Curated by ChEMBL | Assay Description Inhibition of HIV1 protease I50V mutant | J Med Chem 50: 4509-15 (2007) Article DOI: 10.1021/jm070482q BindingDB Entry DOI: 10.7270/Q21G0Q1W | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A,V583A] (Human immunodeficiency virus type 1) | BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) | 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 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Stromelysin-1 (Homo sapiens (Human)) | BDBM50288674 (CHEMBL420674 | [4-(1,3-Dioxo-1,3-dihydro-isoindol-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of stromelysin-1 (MMP-3). | Bioorg Med Chem Lett 6: 323-328 (1996) Article DOI: 10.1016/0960-894X(96)00023-6 BindingDB Entry DOI: 10.7270/Q2X0671M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A,L525I] (Human immunodeficiency virus type 1) | BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) | 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 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Stromelysin-1 (Homo sapiens (Human)) | BDBM50289128 ((R)-6-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-[(S)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of matrix metalloproteinase-3(MMP-3). | Bioorg Med Chem Lett 6: 803-806 (1996) Article DOI: 10.1016/0960-894X(96)00109-6 BindingDB Entry DOI: 10.7270/Q2HM58FH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 protease (Human immunodeficiency virus) | BDBM8125 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia State University Curated by ChEMBL | Assay Description Inhibition of HIV1 protease D30N mutant | J Med Chem 50: 4509-15 (2007) Article DOI: 10.1021/jm070482q BindingDB Entry DOI: 10.7270/Q21G0Q1W | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Stromelysin-1 (Homo sapiens (Human)) | BDBM50057050 ((2S,4R)-2-Butyl-4-[(S)-2,2-dimethyl-1-(pyridin-4-y...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of human stromelysin-1 (Matrix metalloproteinase-3) | J Med Chem 40: 1026-40 (1997) Article DOI: 10.1021/jm960465t BindingDB Entry DOI: 10.7270/Q2H70DXR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A,I551V] (Human immunodeficiency virus type 1) | BDBM8125 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 2 | -51.6 | 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 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Stromelysin-1 (Homo sapiens (Human)) | BDBM50057073 ((2S,4R)-6-(4'-Fluoro-biphenyl-4-yl)-4-((S)-3-methy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of human stromelysin-1 (Matrix metalloproteinase-3) | J Med Chem 40: 1026-40 (1997) Article DOI: 10.1021/jm960465t BindingDB Entry DOI: 10.7270/Q2H70DXR | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
HIV-1 protease (Human immunodeficiency virus) | BDBM50476647 (CHEMBL178593 | GRL-98065) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB Article PubMed | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia State University Curated by ChEMBL | Assay Description Inhibition of HIV1 protease I50V mutant | J Med Chem 50: 4509-15 (2007) Article DOI: 10.1021/jm070482q BindingDB Entry DOI: 10.7270/Q21G0Q1W | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
72 kDa type IV collagenase (Homo sapiens (Human)) | BDBM50288673 (CHEMBL264455 | {4-[((S)-1-Benzoyl-pyrrolidine-2-ca...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of gelatinase-A (MMP-2). | Bioorg Med Chem Lett 6: 323-328 (1996) Article DOI: 10.1016/0960-894X(96)00023-6 BindingDB Entry DOI: 10.7270/Q2X0671M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
72 kDa type IV collagenase (Homo sapiens (Human)) | BDBM50288672 (CHEMBL113362 | [4-(1,3-Dioxo-1,3-dihydro-isoindol-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of gelatinase-A (MMP-2). | Bioorg Med Chem Lett 6: 323-328 (1996) Article DOI: 10.1016/0960-894X(96)00023-6 BindingDB Entry DOI: 10.7270/Q2X0671M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
72 kDa type IV collagenase (Homo sapiens (Human)) | BDBM50285557 ((R)-2-[(S)-3-(4-butyl-phenyl)-1-((S)-4-guanidino-1...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibitory activity against human gelatinase-A (MMP-2) | Bioorg Med Chem Lett 5: 2441-2446 (1995) Article DOI: 10.1016/0960-894X(95)00425-S BindingDB Entry DOI: 10.7270/Q2D21XK6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Stromelysin-1 (Homo sapiens (Human)) | BDBM50288683 (CHEMBL109438 | [4-(1,3-Dioxo-1,3-dihydro-isoindol-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of stromelysin-1 (MMP-3). | Bioorg Med Chem Lett 6: 323-328 (1996) Article DOI: 10.1016/0960-894X(96)00023-6 BindingDB Entry DOI: 10.7270/Q2X0671M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Stromelysin-1 (Homo sapiens (Human)) | BDBM50288672 (CHEMBL113362 | [4-(1,3-Dioxo-1,3-dihydro-isoindol-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of stromelysin-1 (MMP-3). | Bioorg Med Chem Lett 6: 323-328 (1996) Article DOI: 10.1016/0960-894X(96)00023-6 BindingDB Entry DOI: 10.7270/Q2X0671M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A,I585V] (Human immunodeficiency virus type 1) | BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) | 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 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
72 kDa type IV collagenase (Homo sapiens (Human)) | BDBM50289128 ((R)-6-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-[(S)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of matrix metalloproteinase-2(MMP-2) | Bioorg Med Chem Lett 6: 803-806 (1996) Article DOI: 10.1016/0960-894X(96)00109-6 BindingDB Entry DOI: 10.7270/Q2HM58FH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
72 kDa type IV collagenase (Homo sapiens (Human)) | BDBM50285567 ((R)-2-[(S)-1-((S)-4-guanidino-1-phenylcarbamoyl-bu...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibitory activity against human gelatinase-A (MMP-2) | Bioorg Med Chem Lett 5: 2441-2446 (1995) Article DOI: 10.1016/0960-894X(95)00425-S BindingDB Entry DOI: 10.7270/Q2D21XK6 | |||||||||||
More data for this Ligand-Target Pair |
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