Compile Data Set for Download or QSAR
Report error Found 25 Enz. Inhib. hit(s) with all data for entry = 50022202
TargetStructural capsid protein(Human immunodeficiency virus type 1)
Children's Hospital Affiliated to Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50649403(CHEMBL5619085)
Affinity DataEC50:  0.200nMAssay Description:Inhibition of HIV-1 NL4-3 monomeric capsid proteinMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetNon-receptor tyrosine-protein kinase TYK2(Human)
Children's Hospital Affiliated to Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50507816(Bms-986165 | Deucravacitinib | US12351572, Example...)
Affinity DataIC50: 1nMAssay Description:Inhibition of TYK2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetOrexin/Hypocretin receptor type 1(Human)
Children's Hospital Affiliated to Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM334973(US9732075, Example 5.36 | [(S)-2-(5-Chloro-4-methy...)
Affinity DataIC50: 1.10nMAssay Description:Inhibition of OX1R (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetOrexin receptor type 2(Human)
Children's Hospital Affiliated to Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM334973(US9732075, Example 5.36 | [(S)-2-(5-Chloro-4-methy...)
Affinity DataIC50: 1.70nMAssay Description:Inhibition of OX2R (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetGTPase KRas(Human)
Children's Hospital Affiliated to Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50539763(Adagrasib | Mrtx-849 | Mrtx849)
Affinity DataIC50: 5nMAssay Description:Inhibition of KRAS G12C mutant in human NCI-H358 cells assessed as reduction in ERK phosphorylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetStructural capsid protein(Human immunodeficiency virus type 1)
Children's Hospital Affiliated to Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50649402(CHEMBL5618694)
Affinity DataEC50:  12nMAssay Description:Inhibition of HIV-1 NL4-3 monomeric capsid proteinMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetAryl hydrocarbon receptor(Human)
Children's Hospital Affiliated to Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50603566(TAPINAROF | Tapinarof | Benvitimod | Vtama | Wbi-1...)
Affinity DataEC50:  13nMAssay Description:Agonist activity at human AhR by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetStructural capsid protein(Human immunodeficiency virus type 1)
Children's Hospital Affiliated to Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50649401(CHEMBL5618074)
Affinity DataEC50:  19nMAssay Description:Inhibition of HIV-1 NL4-3 monomeric capsid proteinMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetPyruvate kinase PKM(Human)
Children's Hospital Affiliated to Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50597714(Mitapivat | Ag-348 | Pkr-in-1 | AG-348 | MITAPIVAT...)
Affinity DataIC50: 20nMAssay Description:Inhibition of PKM2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Children's Hospital Affiliated to Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50506474(Ft-2102 | Olutasidenib | US11376246, Compound 1 | ...)
Affinity DataIC50: 21nMAssay Description:Inhibition of IDH1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetReceptor-type tyrosine-protein kinase FLT3(Human)
Children's Hospital Affiliated to Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50210177(ONX-0803 | Pacritinib | SB-1518 | SB1518)
Affinity DataIC50: 22nMAssay Description:Inhibition of FLT3 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetReceptor-type tyrosine-protein kinase FLT3(Human)
Children's Hospital Affiliated to Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50649405(CHEMBL5618982)
Affinity DataIC50: 22nMAssay Description:Inhibition of human FLT3 (unknown origin) using poly(Glu,Tyr) as substrate incubated for 2 hrs in presence of ATP by luminescence methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetTyrosine-protein kinase JAK2(Human)
Children's Hospital Affiliated to Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50210177(ONX-0803 | Pacritinib | SB-1518 | SB1518)
Affinity DataIC50: 23nMAssay Description:Inhibition of JAK2 (unknown origin) using kinetic substrate in presence of ATP by mobility shift assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetTyrosine-protein kinase JAK2(Human)
Children's Hospital Affiliated to Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50649405(CHEMBL5618982)
Affinity DataIC50: 23nMAssay Description:Inhibition of N-terminal human recombinant JAK2 using poly(Glu,Ala,Tyr) as substrate incubated for 2 hrs in presence of ATP by luminescence methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetTyrosine-protein kinase JAK1(Human)
Children's Hospital Affiliated to Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50649404(Abrocitinib | Cibinqo | Pf-04965842 | PF-04965842)
Affinity DataIC50: 29nMAssay Description:Inhibition of JAK1 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetStructural capsid protein(Human immunodeficiency virus type 1)
Children's Hospital Affiliated to Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50649396(Lenacapavir | GS-6207 | GS-714207 | GS-CA-2 | GS-C...)
Affinity DataEC50:  50nMAssay Description:Inhibition of HIV-1 NL4-3 monomeric capsid proteinMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetStructural capsid protein(Human immunodeficiency virus type 1)
Children's Hospital Affiliated to Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50649397(CHEMBL5619180)
Affinity DataEC50:  52nMAssay Description:Inhibition of HIV-1 NL4-3 monomeric capsid proteinMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetTyrosine-protein kinase JAK2(Human)
Children's Hospital Affiliated to Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50623116(CHEMBL5416999)
Affinity DataIC50: 70nMAssay Description:Inhibition of N-terminal human recombinant JAK2 using poly(Glu,Ala,Tyr) as substrate incubated for 2 hrs in presence of ATP by luminescence methodMore data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetOrexin receptor type 2(Human)
Children's Hospital Affiliated to Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50318701([(7R)-4-(5-Chloro-1,3-benzoxazol-2-yl)-7-methyl-1,...)
Affinity DataIC50: 138nMAssay Description:Inhibition of OX2R (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetStructural capsid protein(Human immunodeficiency virus type 1)
Children's Hospital Affiliated to Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50649399(CHEMBL5618551)
Affinity DataEC50:  150nMAssay Description:Inhibition of HIV-1 NL4-3 monomeric capsid proteinMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetStructural capsid protein(Human immunodeficiency virus type 1)
Children's Hospital Affiliated to Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50649400(CHEMBL5618387)
Affinity DataEC50:  167nMAssay Description:Inhibition of HIV-1 NL4-3 monomeric capsid proteinMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetReceptor-type tyrosine-protein kinase FLT3(Human)
Children's Hospital Affiliated to Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50623116(CHEMBL5416999)
Affinity DataIC50: 190nMAssay Description:Inhibition of human FLT3 (unknown origin) using poly(Glu,Tyr) as substrate incubated for 2 hrs in presence of ATP by luminescence methodMore data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetOrexin/Hypocretin receptor type 1(Human)
Children's Hospital Affiliated to Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50318701([(7R)-4-(5-Chloro-1,3-benzoxazol-2-yl)-7-methyl-1,...)
Affinity DataIC50: 199nMAssay Description:Inhibition of OX1R (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetStructural capsid protein(Human immunodeficiency virus type 1)
Children's Hospital Affiliated to Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50649398(CHEMBL5619879)
Affinity DataEC50:  650nMAssay Description:Inhibition of HIV-1 NL4-3 monomeric capsid proteinMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetTyrosine-protein kinase JAK2(Human)
Children's Hospital Affiliated to Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50649404(Abrocitinib | Cibinqo | Pf-04965842 | PF-04965842)
Affinity DataIC50: 803nMAssay Description:Inhibition of JAK2 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed