null
SMILES COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C
InChI Key InChIKey=AXRYRYVKAWYZBR-GASGPIRDSA-N
PDB links: 9 PDB IDs match this monomer.
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 47 hits for monomerid = 13934
TargetDimer of Gag-Pol polyprotein [491-589,Q498K,D521N,V555I,N579D](Human immunodeficiency virus type 1)
University of Massachusetts Medical School
University of Massachusetts Medical School
Affinity DataKi: 0.00900nMAssay Description:HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...More data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Academy of Sciences of the Czech Republic
Curated by ChEMBL
Academy of Sciences of the Czech Republic
Curated by ChEMBL
Affinity DataKi: 0.0240nMAssay Description:Inhibition of wild-type HIV1 BH10 protease expressed in Escherichia coli by spectrophotometric assayMore data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Academy of Sciences of the Czech Republic
Curated by ChEMBL
Academy of Sciences of the Czech Republic
Curated by ChEMBL
Affinity DataKi: 0.0500nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Academy of Sciences of the Czech Republic
Curated by ChEMBL
Academy of Sciences of the Czech Republic
Curated by ChEMBL
Affinity DataKi: 0.0540nMAssay 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
TargetHIV-1 protease(Human immunodeficiency virus)
Academy of Sciences of the Czech Republic
Curated by ChEMBL
Academy of Sciences of the Czech Republic
Curated by ChEMBL
Affinity DataKi: 0.0550nMAssay Description:Inhibition of HIV1 recombinant protease D30N/N88D mutant expressed in Escherichia coli by spectrophotometric assayMore data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Academy of Sciences of the Czech Republic
Curated by ChEMBL
Academy of Sciences of the Czech Republic
Curated by ChEMBL
Affinity DataKi: 0.170nMAssay Description:Inhibition of HIV1 recombinant protease V32I/I47A mutant expressed in Escherichia coli by spectrophotometric assayMore data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Academy of Sciences of the Czech Republic
Curated by ChEMBL
Academy of Sciences of the Czech Republic
Curated by ChEMBL
Affinity DataKi: 0.230nMAssay Description:Inhibition of HIV1 recombinant protease A71V/V82T/I84V mutant expressed in Escherichia coli by spectrophotometric assayMore data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [482-580,I502K,I528M,T553A](Human immunodeficiency virus type 1)
Johnson & Johnson Pharmaceutical
Johnson & Johnson Pharmaceutical
Affinity DataKi: 0.240nM ΔG°: -13.6kcal/molepH: 4.7 T: 2°CAssay Description:The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University
Curated by ChEMBL
Uppsala University
Curated by ChEMBL
Affinity DataKi: 0.240nMAssay Description:Inhibition constant for human immunodeficiency virus type 1 proteaseMore data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [491-589,Q498K,L501I,G539V,I545V,V555I,V573A](Human immunodeficiency virus type 1)
University of Massachusetts Medical School
University of Massachusetts Medical School
Affinity DataKi: 0.330nMAssay Description:HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [501-599](Human immunodeficiency virus type 1)
Johnson & Johnson Pharmaceutical
Johnson & Johnson Pharmaceutical
Affinity DataKi: 0.480nM ΔG°: -13.2kcal/molepH: 4.7 T: 2°CAssay Description:The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [491-589,Q498K,L501I,V555I,A562V,G564S,I575V,L581M](Human immunodeficiency virus type 1)
University of Massachusetts Medical School
University of Massachusetts Medical School
Affinity DataKi: 0.490nMAssay Description:HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...More data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Academy of Sciences of the Czech Republic
Curated by ChEMBL
Academy of Sciences of the Czech Republic
Curated by ChEMBL
Affinity DataKi: 0.5nMAssay Description:Inhibition of HIV1 protease expressed in Escherichia coli by fluorometric assayMore data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [501-599,V583F](Human immunodeficiency virus type 1)
Johnson & Johnson Pharmaceutical
Johnson & Johnson Pharmaceutical
Affinity DataKi: 0.560nM ΔG°: -13.1kcal/molepH: 4.7 T: 2°CAssay Description:The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [482-580,I502K,I528M,T553A,V564F](Human immunodeficiency virus type 1)
Johnson & Johnson Pharmaceutical
Johnson & Johnson Pharmaceutical
Affinity DataKi: 0.570nMAssay Description:The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [490-588,L523I,E525D,M526I,I544V,L553H,H559K,V572F,L579M](Human immunodeficiency virus type 1)
Johnson & Johnson Pharmaceutical
Johnson & Johnson Pharmaceutical
Affinity DataKi: 0.700nMAssay Description:The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe...More data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Academy of Sciences of the Czech Republic
Curated by ChEMBL
Academy of Sciences of the Czech Republic
Curated by ChEMBL
Affinity DataKi: 0.760nMAssay Description:Inhibition of HIV1 recombinant protease M46I/A71V/V82T/I84V mutant expressed in Escherichia coli by spectrophotometric assayMore data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [490-588,L523I,E525D,M526I,I544V,L553H,H559K,L579M](Human immunodeficiency virus type 1)
Johnson & Johnson Pharmaceutical
Johnson & Johnson Pharmaceutical
Affinity DataKi: 1.10nMAssay Description:The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe...More data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Academy of Sciences of the Czech Republic
Curated by ChEMBL
Academy of Sciences of the Czech Republic
Curated by ChEMBL
Affinity DataKi: 2.70nMAssay Description:Inhibition of HIV1 protease expressed in Escherichia coliMore data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Academy of Sciences of the Czech Republic
Curated by ChEMBL
Academy of Sciences of the Czech Republic
Curated by ChEMBL
Affinity DataKi: 2.70nMAssay 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...More data for this Ligand-Target Pair
TargetSolute carrier organic anion transporter family member 1B3(Homo sapiens (Human))
Uppsala University
Curated by ChEMBL
Uppsala University
Curated by ChEMBL
Affinity DataKi: 370nMAssay Description:Inhibition of human liver OATP1B3 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E17-betaG uptake incubated for 5 mins by scintillatio...More data for this Ligand-Target Pair
TargetSolute carrier organic anion transporter family member 1B1(Homo sapiens (Human))
Uppsala University
Curated by ChEMBL
Uppsala University
Curated by ChEMBL
Affinity DataKi: 1.30E+3nMAssay Description:Inhibition of human liver OATP1B1 expressed in HEK293 Flp-In cells assessed as reduction in E17-betaG uptake by scintillation countingMore data for this Ligand-Target Pair
TargetSolute carrier organic anion transporter family member 2B1(Homo sapiens (Human))
Uppsala University
Curated by ChEMBL
Uppsala University
Curated by ChEMBL
Affinity DataKi: 5.10E+3nMAssay Description:Inhibition of human liver OATP2B1 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E3S uptake incubated for 5 mins by scintillation coun...More data for this Ligand-Target Pair
Affinity DataIC50: 6.92nMAssay Description:Protease inhibitors (PI) are used to treat HIV infection by preventing viral assembly and maturation through the inhibition of HIV-1 protease activit...More data for this Ligand-Target Pair
Affinity DataIC50: 600nMAssay Description:Inhibition of UGT1A1 in human liver microsomes using beta-estradiol as substrate preincubated for 5 mins followed by substrate addition and measured ...More data for this Ligand-Target Pair
Affinity DataIC50: 300nMAssay Description:Inhibition of recombinant human UGT1A1 using bilirubin as substrate preincubated for 5 mins followed by substrate addition and measured after 40 mins...More data for this Ligand-Target Pair
Affinity DataIC50: 3.40E+3nMAssay Description:Inhibition of UGT1A1 in rat liver microsomes using beta-estradiol as substrate preincubated for 5 mins followed by substrate addition and measured af...More data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Academy of Sciences of the Czech Republic
Curated by ChEMBL
Academy of Sciences of the Czech Republic
Curated by ChEMBL
Affinity DataIC50: 0.300nMAssay Description:Inhibition of HIV1 protease activityMore data for this Ligand-Target Pair
Affinity DataIC50: 4.20E+3nMAssay Description:Inhibition of recombinant rat UGT1A1 using beta-estradiol as substrate preincubated for 5 mins followed by substrate addition and measured after 40 m...More data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Academy of Sciences of the Czech Republic
Curated by ChEMBL
Academy of Sciences of the Czech Republic
Curated by ChEMBL
Affinity DataIC50: 4nMAssay Description:Inhibition of HIV1 subtype C protease Q7K mutant expressed in Escherichia coli BL21 (DE3) pLysS using Lys-Ala-Arg-Val-Nle-p-nitro-Phe-Glu-Ala-Nle-NH2...More data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Academy of Sciences of the Czech Republic
Curated by ChEMBL
Academy of Sciences of the Czech Republic
Curated by ChEMBL
Affinity DataIC50: 4nMAssay Description:Inhibition of HIV1 subtype C protease expressed in Escherichia coli BL21 assessed as hydrolysis of substrate using chromogenic substrate Lys-Ala-Arg-...More data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Academy of Sciences of the Czech Republic
Curated by ChEMBL
Academy of Sciences of the Czech Republic
Curated by ChEMBL
Affinity DataIC50: 4nMAssay 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...More data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Academy of Sciences of the Czech Republic
Curated by ChEMBL
Academy of Sciences of the Czech Republic
Curated by ChEMBL
Affinity DataIC50: 4nMAssay Description:Inhibition of wild type C-South African Human immunodeficiency virus 1 protease using chromogenic peptide H-1048 as substrate by UV spectrophotometri...More data for this Ligand-Target Pair
In DepthDetails
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Academy of Sciences of the Czech Republic
Curated by ChEMBL
Academy of Sciences of the Czech Republic
Curated by ChEMBL
Affinity DataEC50: 0.700nMAssay Description:Inhibition of HIV1 NL4-3 protease assessed as decrease in viral replication in human MT2 cells after 4 days by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Academy of Sciences of the Czech Republic
Curated by ChEMBL
Academy of Sciences of the Czech Republic
Curated by ChEMBL
Affinity DataIC50: 0.0400nMAssay 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
Affinity DataIC50: 6.78E+4nMAssay Description:Inhibition of human MDR1-dependent accumulation of calcein-AM expressed in MDCK2 cellsMore data for this Ligand-Target Pair
TargetSolute carrier organic anion transporter family member 1B1(Homo sapiens (Human))
Uppsala University
Curated by ChEMBL
Uppsala University
Curated by ChEMBL
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibition of human liver OATP1B1 expressed in HEK293 Flp-In cells assessed as reduction in E17-betaG uptake by scintillation countingMore data for this Ligand-Target Pair
TargetSolute carrier organic anion transporter family member 1B3(Homo sapiens (Human))
Uppsala University
Curated by ChEMBL
Uppsala University
Curated by ChEMBL
Affinity DataIC50: 400nMAssay Description:Inhibition of human liver OATP1B3 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E17-betaG uptake incubated for 5 mins by scintillatio...More data for this Ligand-Target Pair
TargetSolute carrier organic anion transporter family member 2B1(Homo sapiens (Human))
Uppsala University
Curated by ChEMBL
Uppsala University
Curated by ChEMBL
Affinity DataIC50: 5.20E+3nMAssay Description:Inhibition of human liver OATP2B1 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E3S uptake incubated for 5 mins by scintillation coun...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University
Curated by ChEMBL
Uppsala University
Curated by ChEMBL
Affinity DataKd: 0.400nMAssay Description:Binding affinity for human immunodeficiency virus type 1 proteaseMore data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Academy of Sciences of the Czech Republic
Curated by ChEMBL
Academy of Sciences of the Czech Republic
Curated by ChEMBL
Affinity DataIC50: 0.0400nMAssay Description:Inhibition of wild-type HIV1 protease expressed in Escherichia coli assessed as reduction in product formation preincubated for 30 mins followed by a...More data for this Ligand-Target Pair
Affinity DataIC50: 26nMAssay Description:The percent reduction of the reverse transcriptase (RT) activity in HIV-1/MN-infected MT-2 cells.More data for this Ligand-Target Pair
Affinity DataAssay Description:Ten-point DRCs were generated for each drug. Vero cells were seeded at 1.2 × 104 cells per well in DMEM, supplemented with 2% FBS and 1× ...More data for this Ligand-Target Pair