BDBM50061306 (3S,4aS,8aS)-2-[(2R,3R)-2-Hydroxy-3-(3-hydroxy-2-methyl-benzoylamino)-4-phenylsulfanyl-butyl]-decahydro-isoquinoline-3-carboxylic acid tert-butylamide; compound with methanesulfonic acid::AG-1343::CHEMBL1205::NELFINAVIR MESYLATE::Nelfinavir::Viracept::cmdc.202100576, 24h
SMILES Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C
InChI Key InChIKey=QAGYKUNXZHXKMR-HKWSIXNMSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 36 hits for monomerid = 50061306
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: 0.0700nMAssay 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: 0.931nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Agouron Pharmaceuticals
Curated by ChEMBL
Agouron Pharmaceuticals
Curated by ChEMBL
Affinity DataKi: 2nMAssay Description:Inhibitory activity against HIV-1 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: 3.20nMAssay 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: 3.80nMAssay 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: 10nMAssay 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: 18nMAssay 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: 32nMAssay 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
Affinity DataKi: 480nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone hydroxylationMore data for this Ligand-Target Pair
Affinity DataKi: 570nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A5 measured by testosterone hydroxylationMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Agouron Pharmaceuticals
Curated by ChEMBL
Agouron Pharmaceuticals
Curated by ChEMBL
Affinity DataIC50: 530nMAssay Description:Compound was tested for inhibitory activity against HIV-1 proteaseMore data for this Ligand-Target Pair
TargetSodium channel protein type 5 subunit alpha(Homo sapiens (Human))
University Of Oxford
Curated by ChEMBL
University Of Oxford
Curated by ChEMBL
Affinity DataIC50: 5.01E+5nMAssay Description:Inhibition of fast sodium current (INa) in HEK293 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platformMore data for this Ligand-Target Pair
Affinity DataIC50: 1.18E+4nMAssay Description:Ability to inhibit the binding of [125I]RT155 to Serotonin transporter in HEK cellsMore data for this Ligand-Target Pair
Affinity DataIC50: >1.33E+5nMAssay 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
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
Affinity DataIC50: 9.70E+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: 1.18E+4nMAssay 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
TargetSodium channel protein type 5 subunit alpha(Homo sapiens (Human))
University Of Oxford
Curated by ChEMBL
University Of Oxford
Curated by ChEMBL
Affinity DataIC50: 7.94E+4nMAssay Description:Inhibition of fast sodium current (INa) in Chinese Hamster Ovary (CHO) K1 cells transfected with human Nav1.5 measured using IonWorks Quattro automat...More data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily E/KQT member 1(Homo sapiens (Human))
University Of Oxford
Curated by ChEMBL
University Of Oxford
Curated by ChEMBL
Affinity DataIC50: 7.94E+4nMAssay Description:Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells expressing hKvLQT1/hminK measured using Ion...More data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
University Of Oxford
Curated by ChEMBL
University Of Oxford
Curated by ChEMBL
Affinity DataIC50: 5.01E+5nMAssay Description:Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) cells stable expressing hERG measured using IonW...More data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
University Of Oxford
Curated by ChEMBL
University Of Oxford
Curated by ChEMBL
Affinity DataIC50: 3.16E+7nMAssay Description:Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) K1 cells stably expressing hERG measured using I...More data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily D member 3(Homo sapiens (Human))
University Of Oxford
Curated by ChEMBL
University Of Oxford
Curated by ChEMBL
Affinity DataIC50: 5.01E+6nMAssay Description:Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells transfected with KCNQ1 / Kv1.7 / KvLQT1 and...More data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
University Of Oxford
Curated by ChEMBL
University Of Oxford
Curated by ChEMBL
Affinity DataIC50: 1.26E+4nMAssay Description:Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells expressing hKvLQT1/hminK measured using Ion...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: 9nMAssay Description:Inhibition of wild type HIV-1 protease assessed as hydrolysis of fluorogenic substrate Abz-Thr-Ile-Nle-Phe(NO2)-Gln-Arg after 10 mins by fluorescence...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: 3nMAssay Description:Binding affinity to Human immunodeficiency virus 1 protease by SPR biosensor interaction analysis at pH 5.1More 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: 38nMAssay Description:Binding affinity to Human immunodeficiency virus 1 protease by SPR biosensor interaction analysis at pH 4.1More 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: 3.40nMAssay Description:Binding affinity to Human immunodeficiency virus 1 protease by SPR biosensor interaction analysis at pH 7.4More 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: 1.25E+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
Affinity DataIC50: 2.18E+4nMAssay 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: 1.90nMAssay Description:Inhibition of recombinant wild type HIV1 protease assessed as hydrolysis of fluorogenic substrateMore data for this Ligand-Target Pair
Affinity DataIC50: 1.70E+3nMAssay Description:Inhibition of P-gp in human CMEC/D3 cells using NBD-Aba as substrate after 30 mins by flow cytometric analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 9.10E+3nMAssay Description:Inhibition of P-gp in human 12D7-MDR cells using calcein-AM as substrate after 30 mins by flow cytometric analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 5.80E+3nMAssay Description:Inhibition of P-gp in human 12D7-MDR cells using NBD-Aba as substrate after 30 mins by flow cytometric analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibition of P-gp in human CMEC/D3 cells using calcein-AM as substrate after 30 mins by flow cytometric analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 4.15E+4nMAssay Description:Please point to the patents.More data for this Ligand-Target Pair
Affinity DataIC50: 1.18E+4nMAssay 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