BDBM8125 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-methylpropyl)sulfonamido]-3-hydroxy-1-phenylbutan-2-yl]carbamate::CHEMBL1323::Darunavir::Darunavir (DRV)::TMC-114::UIC-94017::US10806794, Compound Darunavir

SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc(N)cc1

InChI Key InChIKey=CJBJHOAVZSMMDJ-UHFFFAOYSA-N

Data  60 KI  30 IC50  1 Kd  9 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 101 hits for monomerid = 8125   

TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi:  0.000147nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2020
Entry Details Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi:  0.000200nMAssay Description:Inhibition of wild type HIV1 protease by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2020
Entry Details Article
PubMed
TargetHIV-1 protease(Human immunodeficiency virus)
Academy of Sciences of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi: <0.00100nMAssay Description:Inhibition of HIV1 recombinant protease L10F/L19I/K20R/L33F/E35D/M36I/R41K/F53L/I54V/L63P/H69K/A71V/T74P/I84V/L89M/L90M/I93L mutant expressed in Esch...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2020
Entry Details Article
PubMed
TargetHIV-1 protease(Human immunodeficiency virus)
Academy of Sciences of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi:  0.00100nMAssay Description:Inhibition of HIV1 protease I50V, A71V mutant by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2020
Entry Details Article
PubMed
TargetHIV-1 protease(Human immunodeficiency virus)
Academy of Sciences of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi:  0.00400nMAssay Description:Inhibition of HIV1 protease L10I, G48V, I54V, L63P and V82A mutant by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2020
Entry Details Article
PubMed
TargetHIV-1 protease(Human immunodeficiency virus)
Academy of Sciences of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi:  0.00430nMAssay Description:Inhibition of HIV1 recombinant protease A71V/V82T/I84V mutant expressed in Escherichia coli by spectrophotometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2020
Entry Details Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
University of Massachusetts Medical School

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi: <0.00500nMAssay Description:Inhibition of HIV1 NL4-3 protease expressed in Escherichia coli TAP-106 cells using EDANS/DABCYL-labelled 10-amino acid containing protease cleavage ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2021
Entry Details Article
PubMed
TargetGag-Pol polyprotein [484-582,Q491K,I494L,I497V,V499I,E519D,R541K,D544E,Q553K,L573M](Human immunodeficiency virus)
University of Massachusetts

LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi:  0.00500nM ΔG°:  -15.4kcal/molepH: 4.7 T: 2°CAssay Description:The reaction mixture contained 2 µL of protease and 2 µL of inhibitor (or DMSO as a control) and was incubated for 20-30 min at room temper...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi:  0.00500nMAssay Description:Inhibition of wild type HIV1 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/3/2020
Entry Details Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi:  0.00530nMAssay Description:Inhibition of wild-type HIV1 BH10 protease expressed in Escherichia coli by spectrophotometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2020
Entry Details Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi:  0.00800nMAssay Description:Binding affinity to wild type HIV1 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/10/2017
Entry Details Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi:  0.00800nMAssay Description:Inhibition of wild type HIV1 protease by FRETMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/28/2020
Entry Details Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi:  0.0100nMAssay Description:Inhibition of HIV1 protease using RE(Edans)SGIFLETSK(Dabcyl)R as substrate by fluorescence methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetHIV-1 protease(Human immunodeficiency virus)
Academy of Sciences of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi:  0.0110nMAssay Description:Inhibition of HIV1 recombinant protease D30N/N88D mutant expressed in Escherichia coli by spectrophotometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2020
Entry Details Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataIC50: 0.0130nMAssay 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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2020
Entry Details Article
PubMed
TargetDimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A](Human immunodeficiency virus type 1)
Purdue University

LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi:  0.0140nM ΔG°:  -14.8kcal/molepH: 6.4 T: 2°CAssay Description:The Ki values were determined by substrate cleavage assay using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-Arg-NH2. A standar...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2007
Entry Details Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi:  0.0160nMAssay Description:Inhibition of HIV-1 protease by fluorometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/3/2020
Entry Details Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi:  0.0160nMAssay Description:Inhibition of wild type HIV-1 NL4-3 protease expressed in Escherichia coli Rosetta (DE3)pLysS using Ac-Thr-Ile-Nle-Nle-Gln-Arg-NH2 as substrate by fl...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKd:  0.0160nMAssay Description:Binding affinity to HIV1 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/22/2017
Entry Details Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi:  0.0160nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/3/2020
Entry Details Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi:  0.0160nMAssay Description:Inhibition of HIV1 protease dimerization in MT2 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/25/2020
Entry Details Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi:  0.0160nMAssay Description:Inhibition of HIV1 wild type NL4-3 protease expressed in Escherichia coli Rosetta (DE3) pLysS using Abz-Thr-Ile-Nle-Phe-(pNO2)-Gln-Arg-NH2 as substra...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2020
Entry Details Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi:  0.0160nMAssay Description:Inhibition of HIV-1 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi:  0.0160nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2020
Entry Details Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi:  0.0160nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/29/2020
Entry Details Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi:  0.0160nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2020
Entry Details Article
PubMed
TargetDimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A](Human immunodeficiency virus type 1)
Purdue University

LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi:  0.0160nM ΔG°:  -14.7kcal/mole EC50:  1.60nMpH: 6.4 T: 2°CAssay Description:The Ki values were determined by substrate cleavage assay using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-Arg-NH2. A standar...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2009
Entry Details Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi:  0.0160nMAssay Description:Inhibition of HIV1 protease using Ac-Thr-Ile-Nle-Nle-Gln-Arg-NH2 substrate by continuous fluorometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi:  0.0240nM ΔG°:  -14.5kcal/molepH: 4.7 T: 2°CAssay Description:The reaction mixture contained 2 µL of protease and 2 µL of inhibitor (or DMSO as a control) and was incubated for 20-30 min at room temper...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi:  0.0250nMAssay Description:Inhibition of HIV1 NL4-3 protease I84V mutant expressed in Escherichia coli TAP-106 cells using EDANS/DABCYL-labelled 10-amino acid containing natura...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi:  0.0250nM ΔG°:  -14.5kcal/molepH: 4.7 T: 2°CAssay Description:The reaction mixture contained 2 µL of protease and 2 µL of inhibitor (or DMSO as a control) and was incubated for 20-30 min at room temper...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi:  0.0250nMAssay Description:Inhibition of HIV1 NL4-3 protease I84V mutant expressed in Escherichia coli TAP-106 cells using EDANS/DABCYL-labelled 10-amino acid containing protea...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2021
Entry Details Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi:  0.0260nMAssay Description:Binding affinity to drug-resistant HIV-1 protease I84V mutant expressed in Escherichia coli TAP-106 cells assessed as inhibition constant using a EDA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
TargetHIV-1 protease(Human immunodeficiency virus)
Academy of Sciences of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi:  0.0270nMAssay Description:Inhibition of HIV1 protease L10I, L63P, A71V, G73S, I84V, L90M mutant by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2020
Entry Details Article
PubMed
TargetDimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A,L591M](Human immunodeficiency virus type 1)
Georgia State University

LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi:  0.0300nMAssay Description:The inhibition assays were performed in microtiter plate wells by mixing enzyme and fluorescent peptide substrate in the presence of inhibitor compou...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/14/2006
Entry Details Article
PubMed
TargetHIV-1 protease(Human immunodeficiency virus)
Academy of Sciences of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi:  0.0320nMAssay Description:Inhibition of HIV1 recombinant protease M46I/A71V/V82T/I84V mutant expressed in Escherichia coli by spectrophotometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2020
Entry Details Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataIC50: 0.0600nMAssay Description:Inhibition of HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-GlnAsn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrate preincuba...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/31/2020
Entry Details Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataIC50: 0.0610nMT: 2°CAssay 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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/12/2016
Entry Details Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi:  0.0750nMAssay Description:Inhibition of HIV1 NL4-3 protease I50V/A71V mutant expressed in Escherichia coli TAP-106 cells using EDANS/DABCYL-labelled 10-amino acid containing p...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2021
Entry Details Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi:  0.0750nMAssay Description:Binding affinity to drug-resistant HIV-1 protease I50V/A71V mutant expressed in Escherichia coli TAP-106 cells assessed as inhibition constant using ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi:  0.0750nMAssay Description:Inhibition of HIV1 NL4-3 protease I50V/A71V mutant expressed in Escherichia coli TAP-106 cells using EDANS/DABCYL-labelled 10-amino acid containing n...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetGag-Pol polyprotein [489-892,N526H,R530K,V566I,I582L,V648I,Q690K,I723V,C750S,T788A,Q795E,T874A,V881I,P882Q](Human immunodeficiency virus)
Massachusetts Institute of Technology

LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataEC50:  0.150nMAssay Description:Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2014
Entry Details Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
University of Massachusetts Medical School

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi:  0.180nMAssay Description:Inhibition of wild type HIV1 protease using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrate preincubated for 20 to 30 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed
TargetHIV WT-C pol protein (wild-type clade C)(Human immunodeficiency virus)
Massachusetts Institute of Technology

LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataEC50:  0.180nMAssay Description:Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2014
Entry Details Article
PubMed
TargetDimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A](Human immunodeficiency virus type 1)
Georgia State University

LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi:  0.220nM ΔG°:  -13.7kcal/molepH: 5.6 T: 2°CAssay Description:The inhibition assays were performed in microtiter plate wells by mixing enzyme and fluorescent peptide substrate in the presence of inhibitor compou...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/14/2006
Entry Details Article
PubMed
TargetMDR1(Human immunodeficiency virus)
Massachusetts Institute of Technology

LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataEC50:  0.230nMAssay Description:Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2014
Entry Details Article
PubMed
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi:  0.245nM ΔG°:  -13.1kcal/molepH: 4.7 T: 2°CAssay Description:The reaction mixture contained 2 µL of protease and 2 µL of inhibitor (or DMSO as a control) and was incubated for 20-30 min at room temper...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMed
TargetGag-Pol polyprotein [489-892](Human immunodeficiency virus)
Massachusetts Institute of Technology

LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataEC50:  0.25nMAssay Description:Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2014
Entry Details Article
PubMed
TargetHIV WT-A pol protein (wild-type clade A)(Human immunodeficiency virus type 1)
Massachusetts Institute of Technology

LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataEC50:  0.300nMAssay Description:Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2014
Entry Details Article
PubMed
TargetHIV-1 protease(Human immunodeficiency virus)
Academy of Sciences of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi:  0.310nMAssay Description:Inhibition of HIV1 recombinant protease V32I/I47A mutant expressed in Escherichia coli by spectrophotometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2020
Entry Details Article
PubMed
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