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TargetBeta-secretase 1(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM160666(US9045498, 8)
Affinity DataIC50: 0.00600nMAssay Description:Inhibition of BACE1 in human H4 cells expressing wild type APP695 assessed as reduction in soluble APPbeta level after 18 hrs by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/8/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBeta-secretase 1(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM223332(US9315520, 19 | US9605007, Example 19 | US9744173,...)
Affinity DataIC50: 0.0140nMAssay Description:Inhibition of BACE1 in human H4 cells transfected with wild type APP assessed as reduction in soluble portion of APPbeta level in cells incubated for...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50259962(CHEMBL4088234)
Affinity DataIC50: 0.0240nMAssay Description:Inhibition of BACE1 in human H4 cells expressing wild type APP695 assessed as reduction in soluble APPbeta level after 18 hrs by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/8/2020
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(BtCoV)
Pfizer

LigandPNGBDBM420298(WO2005113580-Ex-02 | PF-00835231 | PF-0835231 | cm...)
Affinity DataKi:  0.0330nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
Ligand InfoPurchaseSimilars
In Depth
Date in BDB:
9/21/2020
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50452875(CHEMBL4212046)
Affinity DataIC50: 0.0330nMAssay Description:Inhibition of BACE1 in human H4 cells transfected with wild type APP assessed as reduction in soluble portion of APPbeta level in cells incubated for...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50452884(CHEMBL4217023)
Affinity DataIC50: 0.0340nMAssay Description:Inhibition of BACE1 in human H4 cells transfected with wild type APP assessed as reduction in soluble portion of APPbeta level in cells incubated for...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(BtCoV)
Pfizer

LigandPNGBDBM420298(WO2005113580-Ex-02 | PF-00835231 | PF-0835231 | cm...)
Affinity DataKi:  0.0340nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
Ligand InfoPurchaseSimilars
In Depth
Date in BDB:
9/21/2020
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50452883(CHEMBL4203860)
Affinity DataIC50: 0.110nMAssay Description:Inhibition of BACE1 in human H4 cells transfected with wild type APP assessed as reduction in soluble portion of APPbeta level in cells incubated for...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(FCoV)
Pfizer

LigandPNGBDBM420298(WO2005113580-Ex-02 | PF-00835231 | PF-0835231 | cm...)
Affinity DataKi:  0.120nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
Ligand InfoPurchaseSimilars
In Depth
Date in BDB:
9/21/2020
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM50645474(CHEMBL5592467)
Affinity DataKi:  0.170nMAssay Description:Inhibition of SARS-Cov-2 MPro assessed as inhibition constant by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
TBA
Entry Details
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM420298(WO2005113580-Ex-02 | PF-00835231 | PF-0835231 | cm...)
Affinity DataKi:  0.270nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
Ligand InfoPurchaseSimilars
In Depth
Date in BDB:
9/21/2020
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(PEDV)
Pfizer

LigandPNGBDBM420298(WO2005113580-Ex-02 | PF-00835231 | PF-0835231 | cm...)
Affinity DataKi:  0.300nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
Ligand InfoPurchaseSimilars
In Depth
Date in BDB:
9/21/2020
Entry Details Article
PubMed
TargetBeta-secretase 2(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM47353(US9687494, 25 | BDBM143220 | US9029362, 173)
Affinity DataIC50: 0.380nMAssay Description:Inhibition of human BACE2More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(HCoV-OC43)
Pfizer

LigandPNGBDBM420298(WO2005113580-Ex-02 | PF-00835231 | PF-0835231 | cm...)
Affinity DataKi:  0.510nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
Ligand InfoPurchaseSimilars
In Depth
Date in BDB:
9/21/2020
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM143218(US8940748, 34 | US9029362, 34 | US9687494, 34)
Affinity DataIC50: 0.540nMAssay Description:Inhibition of BACE1 in human H4 cells transfected with wild type APP assessed as reduction in soluble portion of APPbeta level in cells incubated for...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50452874(CHEMBL4217620)
Affinity DataIC50: 0.600nMAssay Description:Inhibition of human BACE1More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM50645469(CHEMBL5592186)
Affinity DataKi:  0.630nMAssay Description:Inhibition of SARS-Cov-2 MPro assessed as inhibition constant by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
TBA
Entry Details
TargetBeta-secretase 1(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM312938(US9605007, Example 4 | N-{2-[(4aR,6S,8aR)-2-amino-...)
Affinity DataIC50: 0.640nMAssay Description:Inhibition of BACE1 in human H4 cells transfected with wild type APP assessed as reduction in soluble portion of APPbeta level in cells incubated for...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM50645468(CHEMBL5592632)
Affinity DataKi:  0.710nMAssay Description:Inhibition of SARS-Cov-2 MPro assessed as inhibition constant by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
TBA
Entry Details
TargetReplicase polyprotein 1ab(BtCoV)
Pfizer

LigandPNGBDBM420298(WO2005113580-Ex-02 | PF-00835231 | PF-0835231 | cm...)
Affinity DataKi:  0.740nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
Ligand InfoPurchaseSimilars
In Depth
Date in BDB:
9/21/2020
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(HCoV-NL63)
Pfizer

LigandPNGBDBM420298(WO2005113580-Ex-02 | PF-00835231 | PF-0835231 | cm...)
Affinity DataKi:  0.770nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
Ligand InfoPurchaseSimilars
In Depth
Date in BDB:
9/21/2020
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(HCoV-HKU1)
Pfizer

LigandPNGBDBM420298(WO2005113580-Ex-02 | PF-00835231 | PF-0835231 | cm...)
Affinity DataKi:  0.850nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
Ligand InfoPurchaseSimilars
In Depth
Date in BDB:
9/21/2020
Entry Details Article
PubMed
TargetBeta-secretase 2(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50452874(CHEMBL4217620)
Affinity DataIC50: 0.900nMAssay Description:Inhibition of human BACE2More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM143218(US8940748, 34 | US9029362, 34 | US9687494, 34)
Affinity DataIC50: 0.900nMAssay Description:Inhibition of human BACE1More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM50645476(CHEMBL5590130)
Affinity DataKi:  1.10nMAssay Description:Inhibition of SARS-Cov-2 MPro assessed as inhibition constant by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
TBA
Entry Details
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM510127(WO2021250648, Example 79 | WO2021250648, Example 9...)
Affinity DataKi:  1.10nMAssay Description:Inhibition of SARS-Cov-2 MPro assessed as inhibition constant by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
TargetReplicase polyprotein 1ab(MHV-A59)
Pfizer

LigandPNGBDBM420298(WO2005113580-Ex-02 | PF-00835231 | PF-0835231 | cm...)
Affinity DataKi:  1.20nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
Ligand InfoPurchaseSimilars
In Depth
Date in BDB:
9/21/2020
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(HCoV-229E)
Pfizer

LigandPNGBDBM420298(WO2005113580-Ex-02 | PF-00835231 | PF-0835231 | cm...)
Affinity DataKi:  1.5nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
Ligand InfoPurchaseSimilars
In Depth
Date in BDB:
9/21/2020
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50259964(CHEMBL4083698)
Affinity DataIC50: 2nMAssay Description:Inhibition of BACE1 in human H4 cells expressing wild type APP695 assessed as reduction in soluble APPbeta level after 18 hrs by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/8/2020
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM47353(US9687494, 25 | BDBM143220 | US9029362, 173)
Affinity DataIC50: 2.20nMAssay Description:Inhibition of human BACE1More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM143218(US8940748, 34 | US9029362, 34 | US9687494, 34)
Affinity DataIC50: 2.20nMAssay Description:Inhibition of human BACE1 using biotin-GLTNIKTEEISEISYEVEFR-C[Oregon green]KK-OH as substrate after 3 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM50645473(Pf-07817883 | PF-07817883 | Ibuzatrelvir)
Affinity DataKi:  2.5nMAssay Description:Inhibition of SARS-Cov-2 MPro assessed as inhibition constant by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
TBA
Entry Details
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM50645470(CHEMBL5595506)
Affinity DataKi:  2.80nMAssay Description:Inhibition of SARS-Cov-2 MPro assessed as inhibition constant by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
TBA
Entry Details
TargetBeta-secretase 1(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM223400(US9315520, Example 45 | US9315520, 45 | US9605007,...)
Affinity DataIC50: 2.90nMAssay Description:Inhibition of BACE1 in human H4 cells transfected with wild type APP assessed as reduction in soluble portion of APPbeta level in cells incubated for...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM496902(PF-07321332 | science.abl4784, 6 | WO2021250648, E...)
Affinity DataKi:  3.10nMAssay Description:Inhibition of SARS-Cov-2 MPro assessed as inhibition constant by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
TargetBeta-secretase 2(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM143218(US8940748, 34 | US9029362, 34 | US9687494, 34)
Affinity DataIC50: 3.30nMAssay Description:Displacement of [3H]-PF-6475886 from recombinant human full length Myc-DDK-tagged BACE2 expressed in HEK293 cell membranes after 30 mins by parallel ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM223396(US9315520, Example 7 | US9315520, 7 | US9605007, E...)
Affinity DataIC50: 3.80nMAssay Description:Inhibition of BACE1 in human H4 cells transfected with wild type APP assessed as reduction in soluble portion of APPbeta level in cells incubated for...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetBeta-secretase 2(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM312938(US9605007, Example 4 | N-{2-[(4aR,6S,8aR)-2-amino-...)
Affinity DataIC50: 3.90nMAssay Description:Inhibition of human BACE2 using biotin-GLTNIKTEEISEISYEVEFR-C[Oregon green]KK-OH as substrate after 3 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM312940(US9605007, Example 5 | N-{2-[(4aR,6S,8aR)-2-amino-...)
Affinity DataIC50: 3.90nMAssay Description:Inhibition of BACE1 in human H4 cells transfected with wild type APP assessed as reduction in soluble portion of APPbeta level in cells incubated for...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM50645471(CHEMBL5590851)
Affinity DataKi:  3.90nMAssay Description:Inhibition of SARS-Cov-2 MPro assessed as inhibition constant by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
TBA
Entry Details
TargetReplicase polyprotein 1ab(IBV)
Pfizer

LigandPNGBDBM420298(WO2005113580-Ex-02 | PF-00835231 | PF-0835231 | cm...)
Affinity DataKi:  4nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
Ligand InfoPurchaseSimilars
In Depth
Date in BDB:
9/21/2020
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50259974(CHEMBL4102593)
Affinity DataIC50: 4nMAssay Description:Inhibition of BACE1 in human H4 cells expressing wild type APP695 assessed as reduction in soluble APPbeta level after 18 hrs by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/8/2020
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50259968(CHEMBL4084653)
Affinity DataIC50: 4nMAssay Description:Inhibition of BACE1 in human H4 cells expressing wild type APP695 assessed as reduction in soluble APPbeta level after 18 hrs by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/8/2020
Entry Details Article
PubMed
TargetBeta-secretase 2(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM143218(US8940748, 34 | US9029362, 34 | US9687494, 34)
Affinity DataIC50: 4.5nMAssay Description:Inhibition of human BACE2 using biotin-GLTNIKTEEISEISYEVEFR-C[Oregon green]KK-OH as substrate after 3 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM50645472(CHEMBL5090635)
Affinity DataKi:  4.5nMAssay Description:Inhibition of SARS-Cov-2 MPro assessed as inhibition constant by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
TBA
Entry Details
TargetBeta-secretase 1(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM223330(US9315520, 17 | US9605007, Example 17 | US9744173,...)
Affinity DataIC50: 4.80nMAssay Description:Inhibition of BACE1 in human H4 cells transfected with wild type APP assessed as reduction in soluble portion of APPbeta level in cells incubated for...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50012653(CHEMBL3261067)
Affinity DataIC50: 5nMAssay Description:Inhibition of human BACE1More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBeta-secretase 1(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM223395(US9315520, Example 1 | US9315520, Comparator 1 | U...)
Affinity DataIC50: 5.10nMAssay Description:Inhibition of BACE1 in human H4 cells transfected with wild type APP assessed as reduction in soluble portion of APPbeta level in cells incubated for...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM510126(WO2021250648, Example 78 | (1R,2S,5S)-N-{(1 S)-1-C...)
Affinity DataKi:  5.5nMAssay Description:Inhibition of SARS-Cov-2 MPro assessed as inhibition constant by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
TargetBeta-secretase 2(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50012653(CHEMBL3261067)
Affinity DataIC50: 6nMAssay Description:Inhibition of human BACE2More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
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