BDBM50213021 CHEBI:63621::Fortovase::Invirase::Ro-31-8959::Ro-318959000::Saquinavir::US10806794, Compound Saquinavir
SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc3ccccc3n1)[C@@H](C2)C(=O)NC(C)(C)C
InChI Key InChIKey=QWAXKHKRTORLEM-UGJKXSETSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 29 hits for monomerid = 50213021
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: 0.0400nMAssay Description:Inhibition of wild-type HIV1 BH10 protease expressed in Escherichia coli by spectrophotometric assayMore data for this Ligand-Target Pair
3D Structure (crystal)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: 0.138nMAssay Description:Inhibition of HIV1 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 DataKi: 0.200nMAssay Description:Inhibition of HIV1 protease expressed in Escherichia coli by fluorometric 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: 0.220nMAssay Description:Inhibition of HIV1 recombinant protease V32I/I47A mutant 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: 0.420nMAssay Description:Inhibition of wild type HIV1 protease by competitive bindingMore 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: 0.510nMAssay Description:Inhibition of HIV1 recombinant protease D30N/N88D mutant 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: 0.650nMAssay Description:Binding affinity to wild type 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: 9nMAssay Description:Inhibition of HIV1 protease V32I mutant by competitive bindingMore 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: 12nMAssay Description:Inhibition of HIV1 recombinant protease A71V/V82T/I84V 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: 13nMAssay Description:Inhibition of HIV1 recombinant protease M46I/A71V/V82T/I84V 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: 71nMAssay 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
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 DataKd: 4.10nMAssay Description:Binding affinity to Human immunodeficiency virus 1 protease by SPR biosensor interaction analysis at pH 4.1More data for this Ligand-Target Pair
Affinity DataIC50: 8.26E+3nMAssay Description:TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in OCT1-expressing HeLa cellsMore 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: 0.400nMAssay Description:Inhibition of recombinant wild type HIV1 protease assessed as hydrolysis of fluorogenic substrateMore data for this Ligand-Target Pair
Affinity DataIC50: 0.0500nMAssay 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
TargetBile salt export pump(Homo sapiens (Human))
Norman Drug Discovery Training And Consulting
Curated by ChEMBL
Norman Drug Discovery Training And Consulting
Curated by ChEMBL
Affinity DataIC50: 2.90E+3nMAssay Description:Inhibition of human BSEP expressed in HEK293 cell membrane vesicles assessed as reduction in 3H-TCA uptake incubated for 5 mins by radiodetection met...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
University Of Nebraska Medical Center
Curated by ChEMBL
University Of Nebraska Medical Center
Curated by ChEMBL
Affinity DataIC50: 0.230nMAssay Description:Inhibition of HIV1 protease using H-Val-Ser-Gln-Am-(L-b-naphthyl-alanine)-Pro-Ile-Val-OH as substrate by HPLC methodMore 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 DataKd: 0.577nMAssay Description:Binding affinity to Human immunodeficiency virus 1 protease by SPR biosensor interaction analysis at pH 7.4More 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 DataKd: 0.637nMAssay Description:Binding affinity to Human immunodeficiency virus 1 protease by SPR biosensor interaction analysis at pH 5.1More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
University Of Nebraska Medical Center
Curated by ChEMBL
University Of Nebraska Medical Center
Curated by ChEMBL
Affinity DataKd: 67nMAssay Description:Binding affinity to HIV-1 Aspartic ProteaseMore data for this Ligand-Target Pair
TargetVoltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S(Homo sapiens (Human))
Chantest
Curated by ChEMBL
Chantest
Curated by ChEMBL
Affinity DataIC50: 1.90E+3nMAssay Description:Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunitsMore data for this Ligand-Target Pair
Affinity DataIC50: 5.90E+4nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
Affinity DataIC50: 4.20E+4nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
TargetBile salt export pump(Homo sapiens (Human))
Norman Drug Discovery Training And Consulting
Curated by ChEMBL
Norman Drug Discovery Training And Consulting
Curated by ChEMBL
Affinity DataIC50: 4.90E+3nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
TargetBile salt export pump(Homo sapiens (Human))
Norman Drug Discovery Training And Consulting
Curated by ChEMBL
Norman Drug Discovery Training And Consulting
Curated by ChEMBL
Affinity DataIC50: 4.90E+3nMAssay Description:Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...More data for this Ligand-Target Pair
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
Federal University Of Parana
Curated by ChEMBL
Federal University Of Parana
Curated by ChEMBL
Affinity DataIC50: 1.95E+4nMAssay Description:Inhibition of ABCG2 (unknown origin) expressed in human HEK293 cells mediated mitoxantrone efflux assessed as intracellular mitoxantrone level preinc...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
University Of Nebraska Medical Center
Curated by ChEMBL
University Of Nebraska Medical Center
Curated by ChEMBL
Affinity DataIC50: <0.400nMAssay Description:Inhibitory activity against HIV-1 Protease was determinedMore data for this Ligand-Target Pair
TargetBile salt export pump(Homo sapiens (Human))
Norman Drug Discovery Training And Consulting
Curated by ChEMBL
Norman Drug Discovery Training And Consulting
Curated by ChEMBL
Affinity DataIC50: 2.90E+3nMAssay Description:Inhibition of recombinant human BSEP expressed in baculovirus infected sf9 cell membrane vesicles assessed as reduction in ATP or AMP-dependent [3H]-...More data for this Ligand-Target Pair