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)) | BDBM13934 (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.0240 | 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) | ||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM13934 (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.0500 | 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 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM13934 (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.5 | 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 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM13934 (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 2.70 | 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 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM13934 (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 2.70 | 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 using DABCYL-Abu-Ser-Gln-ASN-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 20 min... | J Med Chem 55: 2724-36 (2012) Article DOI: 10.1021/jm201620t BindingDB Entry DOI: 10.7270/Q2C25086 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM13934 (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc Curated by ChEMBL | Assay Description Inhibition of HIV1 protease expressed in Escherichia coli using Val-Ser-Gln-Asn-(beta-naphtyl)Ala-Pro-Ile-Val as substrate preincubated for 30 mins f... | ACS Med Chem Lett 8: 1292-1297 (2017) Article DOI: 10.1021/acsmedchemlett.7b00386 BindingDB Entry DOI: 10.7270/Q2K35X57 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM13934 (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 0.0400 | 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 protease expressed in Escherichia coli assessed as reduction in product formation preincubated for 30 mins followed by a... | ACS Med Chem Lett 7: 702-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00135 BindingDB Entry DOI: 10.7270/Q28W3G74 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM13934 (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of HIV1 protease activity | J Med Chem 62: 3553-3574 (2019) Article DOI: 10.1021/acs.jmedchem.9b00002 BindingDB Entry DOI: 10.7270/Q2BP066S | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM13934 (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of KwaZulu-Natal Curated by ChEMBL | Assay Description Inhibition of HIV1 subtype C protease expressed in Escherichia coli BL21 assessed as hydrolysis of substrate using chromogenic substrate Lys-Ala-Arg-... | Bioorg Med Chem Lett 21: 2274-7 (2011) Article DOI: 10.1016/j.bmcl.2011.02.105 BindingDB Entry DOI: 10.7270/Q2QZ2DST | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM13934 (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of KwaZulu-Natal Curated by ChEMBL | Assay Description Inhibition of South African HIV1 subtype C protease expressed in Escherichia coli BL21S4 (DE3)pLysS cells using Lys-Ala-Arg-Val-Nle-p-nitro-Phe-Glu-A... | Eur J Med Chem 53: 13-21 (2012) Article DOI: 10.1016/j.ejmech.2012.03.027 BindingDB Entry DOI: 10.7270/Q2QC06CB | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM13934 (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of wild type C-South African Human immunodeficiency virus 1 protease using chromogenic peptide H-1048 as substrate by UV spectrophotometri... | Citation and Details Article DOI: 10.1007/s00044-012-0350-1 BindingDB Entry DOI: 10.7270/Q2FR00JD | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM13934 (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of HIV1 NL4-3 protease assessed as decrease in viral replication in human MT2 cells after 4 days by luciferase reporter gene assay | J Med Chem 61: 4176-4188 (2018) Article DOI: 10.1021/acs.jmedchem.8b00277 BindingDB Entry DOI: 10.7270/Q2QF8WGP | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |