BDBM50067593 CHEBI:44032::Crixivan::Indinavir::L-735524::MK-639::US10806794, Compound Indinavir

SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12

InChI Key InChIKey=CBVCZFGXHXORBI-PXQQMZJSSA-N

Data  11 KI  15 IC50  3 Kd  2 EC50

PDB links: 15 PDB IDs match this monomer.

  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 31 hits for monomerid = 50067593   

TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Academy Of Sciences Of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)
Affinity DataKi:  0.120nMAssay 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
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)
Affinity DataKi:  0.300nMAssay Description:Inhibition of HIV1 protease expressed in Escherichia coli by fluorometric assayMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587,G537V,H558K,V571A](Human immunodeficiency virus)
Csir-National Chemical Laboratory

Curated by ChEMBL
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)
Affinity DataKi:  0.380nMAssay Description:Inhibition of recombinant HIV protease expressed in inclusion bodies of Escherichia coli BL21 (DE3)More data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Academy Of Sciences Of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)
Affinity DataKi:  0.520nMAssay 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
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)
Affinity DataKi:  0.540nMAssay 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
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)
Affinity DataKi:  0.739nMAssay 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
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)
Affinity DataKi:  0.880nMAssay 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
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)
Affinity DataKi:  13nMAssay 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
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)
Affinity DataKi:  21nMAssay 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
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)
Affinity DataKi:  33nMAssay 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
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)
Affinity DataKi:  56nMAssay Description:Inhibition of HIV1 recombinant protease V32I/I47A mutant expressed in Escherichia coli by spectrophotometric assayMore data for this Ligand-Target Pair
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)
Affinity DataIC50:  2.12E+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
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)
Affinity DataIC50:  8.30E+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
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)
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
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Michigan State University

LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)
Affinity DataIC50:  1.36E+4nMAssay Description:This is a review article. Please point to the original journal.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)
Affinity DataIC50:  2.12E+4nMAssay Description:Binding affinity towards nicotinic acetylcholine receptor (nACh) using [3H](-)-nicotine as radioligand in rat brainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)
Affinity DataIC50:  2.12E+4nMAssay Description:Inhibition of recombinant human BSEP expressed in baculovirus infected sf9 cell plasma membrane vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
National Institutes Of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)
Affinity DataEC50:  1.58E+4nMAssay Description:Activation of human PXR expressed in human HepG2 (DPX-2) cells assessed as induction of CYP3A4 after 24 hrs by luminescent analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Academy Of Sciences Of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)
Affinity DataKd:  1.20nMAssay 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
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)
Affinity DataKd:  1.40nMAssay 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
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)
Affinity DataKd:  5.5nMAssay 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
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)
Affinity DataIC50:  0.400nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
National Institutes Of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)
Affinity DataEC50:  1.41E+4nMAssay Description:Activation of human PXR expressed in human HepG2 (DPX-2) cells after 24 hrs by luciferase reporter gene based luminescent analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Academy Of Sciences Of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)
Affinity DataIC50:  0.880nMT: 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
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Academy Of Sciences Of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)
Affinity DataIC50: <10nMAssay Description:Inhibition of HIV1 recombinant proteaseMore data for this Ligand-Target Pair
TargetSolute carrier family 22 member 1(RAT)
University Of California

Curated by ChEMBL
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)
Affinity DataIC50:  6.17E+4nMAssay Description:TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in OCT1-expressing HeLa cellsMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Academy Of Sciences Of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)
Affinity DataIC50:  0.600nMAssay Description:Inhibition of wild type HIV1 NL4-3 proteaseMore data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Nektar Therapeutics

US Patent
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)
Affinity DataIC50:  10.5nMAssay 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
TargetReplicase polyprotein 1ab(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
Michigan State University

LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)
Affinity DataIC50:  3.15E+4nMAssay Description:This is a review article. Please point to the original journal.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)
Affinity DataIC50: >1.33E+5nMAssay 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
In DepthDetails ArticlePubMed
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Academy Of Sciences Of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)
Affinity DataIC50: <10nMAssay Description:Inhibition of purified HIV-1 protease using [Arg-Glu(EDANS)-Ser-Gin-Asn-Tyr-Ile-Val-Gin-Lys(dabcyl)-Arg) as fluorogenic substrate by fluorescence ass...More data for this Ligand-Target Pair