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 | 0.00800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University Curated by ChEMBL | Assay Description Binding affinity to wild type HIV1 protease | J Med Chem 59: 2849-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b00497 BindingDB Entry DOI: 10.7270/Q2JH3P3H | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50163737 (CHEMBL3799941) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University Curated by ChEMBL | Assay Description Inhibition of HIV1 protease using Pr SF-2-WTQ7K-Pr as substrate after 24 hrs by LC/MS-MS analysis | J Med Chem 59: 2849-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b00497 BindingDB Entry DOI: 10.7270/Q2JH3P3H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50163737 (CHEMBL3799941) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University Curated by ChEMBL | Assay Description Inhibition of HIV1 protease after 48 hrs by micro-titer plate assay | J Med Chem 59: 2849-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b00497 BindingDB Entry DOI: 10.7270/Q2JH3P3H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50163750 (CHEMBL3797292) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University Curated by ChEMBL | Assay Description Inhibition of HIV1 protease after 48 hrs by micro-titer plate assay | J Med Chem 59: 2849-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b00497 BindingDB Entry DOI: 10.7270/Q2JH3P3H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50200943 (CHEMBL269769 | cyclopentyl (2S,3S)-3-[4-([4-(5-chl...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University Curated by ChEMBL | Assay Description Inhibition of HIV1 protease after 48 hrs by micro-titer plate assay | J Med Chem 59: 2849-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b00497 BindingDB Entry DOI: 10.7270/Q2JH3P3H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50163752 (CHEMBL3799500) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University Curated by ChEMBL | Assay Description Binding affinity to wild type HIV1 protease | J Med Chem 59: 2849-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b00497 BindingDB Entry DOI: 10.7270/Q2JH3P3H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50163737 (CHEMBL3799941) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University Curated by ChEMBL | Assay Description Inhibition of HIV1 protease after 48 hrs by micro-titer plate assay | J Med Chem 59: 2849-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b00497 BindingDB Entry DOI: 10.7270/Q2JH3P3H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50163737 (CHEMBL3799941) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University Curated by ChEMBL | Assay Description Inhibition of HIV1 protease using Pr SF-2-WTQ7K-Pr as substrate after 24 hrs by LC/MS-MS analysis | J Med Chem 59: 2849-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b00497 BindingDB Entry DOI: 10.7270/Q2JH3P3H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50163750 (CHEMBL3797292) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University Curated by ChEMBL | Assay Description Inhibition of HIV1 protease after 48 hrs by micro-titer plate assay | J Med Chem 59: 2849-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b00497 BindingDB Entry DOI: 10.7270/Q2JH3P3H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50163751 (CHEMBL3799799) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University Curated by ChEMBL | Assay Description Inhibition of CYP2D6 (unknown origin) | J Med Chem 59: 2849-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b00497 BindingDB Entry DOI: 10.7270/Q2JH3P3H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-X-C chemokine receptor type 4 (Homo sapiens (Human)) | BDBM50155311 (CHEMBL3781301) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University Curated by ChEMBL | Assay Description Antagonist activity against CXCR4 in in human MOLT4 cells assessed as inhibition of SDF1alpha -induced Ca2+ mobilization after 30 mins by FACS analys... | J Med Chem 59: 2849-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b00497 BindingDB Entry DOI: 10.7270/Q2JH3P3H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 5 (Homo sapiens (Human)) | BDBM50163751 (CHEMBL3799799) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University Curated by ChEMBL | Assay Description Inhibition of human recombinant CCR5 encoding an HIV-1-longterminal-repeat-regulated beta-galactosidase reporter gene expressed in human HeLaP4 cells... | J Med Chem 59: 2849-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b00497 BindingDB Entry DOI: 10.7270/Q2JH3P3H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50163738 (CHEMBL3799917) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University Curated by ChEMBL | Assay Description Inhibition of HIV1 protease using Pr SF-2-WTQ7K-Pr as substrate after 24 hrs by LC/MS-MS analysis | J Med Chem 59: 2849-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b00497 BindingDB Entry DOI: 10.7270/Q2JH3P3H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50163736 (CHEMBL3799805) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University Curated by ChEMBL | Assay Description Inhibition of HIV1 integrase using DIG/biotin-tagged annealed U5 LTR sequence oligonucleotides as substrate after 2 hrs by 3-processing strand transf... | J Med Chem 59: 2849-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b00497 BindingDB Entry DOI: 10.7270/Q2JH3P3H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50163734 (CHEMBL3780574) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University Curated by ChEMBL | Assay Description Inhibition of HIV1 subtype B protease | J Med Chem 59: 2849-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b00497 BindingDB Entry DOI: 10.7270/Q2JH3P3H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50163733 (CHEMBL3800610) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University Curated by ChEMBL | Assay Description Inhibition of HIV1 subtype B protease | J Med Chem 59: 2849-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b00497 BindingDB Entry DOI: 10.7270/Q2JH3P3H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50163732 (CHEMBL3797729) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University Curated by ChEMBL | Assay Description Inhibition of HIV1 subtype B protease | J Med Chem 59: 2849-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b00497 BindingDB Entry DOI: 10.7270/Q2JH3P3H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50163730 (CHEMBL3797258) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University Curated by ChEMBL | Assay Description Inhibition of HIV1 subtype B protease | J Med Chem 59: 2849-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b00497 BindingDB Entry DOI: 10.7270/Q2JH3P3H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50163729 (CHEMBL3800626) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University Curated by ChEMBL | Assay Description Inhibition of HIV1 subtype B protease | J Med Chem 59: 2849-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b00497 BindingDB Entry DOI: 10.7270/Q2JH3P3H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50163742 (CHEMBL3797222) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University Curated by ChEMBL | Assay Description Inhibition of HIV1 protease using Pr SF-2-WTQ7K-Pr as substrate after 24 hrs by LC/MS-MS analysis | J Med Chem 59: 2849-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b00497 BindingDB Entry DOI: 10.7270/Q2JH3P3H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50163740 (CHEMBL3800582) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University Curated by ChEMBL | Assay Description Inhibition of HIV1 protease using Pr SF-2-WTQ7K-Pr as substrate after 24 hrs by LC/MS-MS analysis | J Med Chem 59: 2849-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b00497 BindingDB Entry DOI: 10.7270/Q2JH3P3H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50163739 (CHEMBL3798397) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University Curated by ChEMBL | Assay Description Inhibition of HIV1 protease using Pr SF-2-WTQ7K-Pr as substrate after 24 hrs by LC/MS-MS analysis | J Med Chem 59: 2849-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b00497 BindingDB Entry DOI: 10.7270/Q2JH3P3H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50163741 (CHEMBL3799995) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University Curated by ChEMBL | Assay Description Inhibition of HIV1 protease using Pr SF-2-WTQ7K-Pr as substrate after 24 hrs by LC/MS-MS analysis | J Med Chem 59: 2849-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b00497 BindingDB Entry DOI: 10.7270/Q2JH3P3H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50163749 (CHEMBL3799880) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University Curated by ChEMBL | Assay Description Inhibition of HIV1 protease using Pr SF-2-WTQ7K-Pr as substrate after 24 hrs by LC/MS-MS analysis | J Med Chem 59: 2849-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b00497 BindingDB Entry DOI: 10.7270/Q2JH3P3H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50163725 (CHEMBL3800276) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.06E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University Curated by ChEMBL | Assay Description Inhibition of HIV1 subtype B protease | J Med Chem 59: 2849-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b00497 BindingDB Entry DOI: 10.7270/Q2JH3P3H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50163735 (CHEMBL1738817) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 2.95E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University Curated by ChEMBL | Assay Description Inhibition of HIV1 integrase using DIG/biotin-tagged annealed U5 LTR sequence oligonucleotides as substrate after 2 hrs by 3-processing strand transf... | J Med Chem 59: 2849-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b00497 BindingDB Entry DOI: 10.7270/Q2JH3P3H | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM36291 (sesamol) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | 5.50E+6 | n/a | n/a | n/a | n/a | n/a |
Shandong University Curated by ChEMBL | Assay Description Binding affinity to HIV integrase | J Med Chem 59: 2849-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b00497 BindingDB Entry DOI: 10.7270/Q2JH3P3H | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50163753 (CHEMBL1615094) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | n/a | 2.80E+6 | n/a | n/a | n/a | n/a | n/a |
Shandong University Curated by ChEMBL | Assay Description Binding affinity to HIV integrase | J Med Chem 59: 2849-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b00497 BindingDB Entry DOI: 10.7270/Q2JH3P3H | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50163754 (CHEMBL1614842) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | n/a | 1.70E+5 | n/a | n/a | n/a | n/a | n/a |
Shandong University Curated by ChEMBL | Assay Description Binding affinity to HIV integrase | J Med Chem 59: 2849-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b00497 BindingDB Entry DOI: 10.7270/Q2JH3P3H | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |