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
LigandChemical structure of BindingDB Monomer ID 50649403BDBM50649403(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
LigandChemical structure of BindingDB Monomer ID 50507816BDBM50507816(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
LigandChemical structure of BindingDB Monomer ID 334973BDBM334973(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
LigandChemical structure of BindingDB Monomer ID 334973BDBM334973(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
LigandChemical structure of BindingDB Monomer ID 50539763BDBM50539763(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
PubMedPDB3D3D Structure (crystal)
TargetStructural capsid protein(Human immunodeficiency virus type 1)
Children's Hospital Affiliated to Zhengzhou University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50649402BDBM50649402(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
LigandChemical structure of BindingDB Monomer ID 50603566BDBM50603566(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
PubMedPDB3D3D Structure (crystal)
TargetStructural capsid protein(Human immunodeficiency virus type 1)
Children's Hospital Affiliated to Zhengzhou University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50649401BDBM50649401(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
LigandChemical structure of BindingDB Monomer ID 50597714BDBM50597714(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
LigandChemical structure of BindingDB Monomer ID 50506474BDBM50506474(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
LigandChemical structure of BindingDB Monomer ID 50210177BDBM50210177(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
LigandChemical structure of BindingDB Monomer ID 50649405BDBM50649405(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
LigandChemical structure of BindingDB Monomer ID 50210177BDBM50210177(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
LigandChemical structure of BindingDB Monomer ID 50649405BDBM50649405(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
LigandChemical structure of BindingDB Monomer ID 50649404BDBM50649404(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
LigandChemical structure of BindingDB Monomer ID 50649396BDBM50649396(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
LigandChemical structure of BindingDB Monomer ID 50649397BDBM50649397(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
LigandChemical structure of BindingDB Monomer ID 50623116BDBM50623116(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
LigandChemical structure of BindingDB Monomer ID 50318701BDBM50318701([(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
LigandChemical structure of BindingDB Monomer ID 50649399BDBM50649399(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
LigandChemical structure of BindingDB Monomer ID 50649400BDBM50649400(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
LigandChemical structure of BindingDB Monomer ID 50623116BDBM50623116(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
LigandChemical structure of BindingDB Monomer ID 50318701BDBM50318701([(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
LigandChemical structure of BindingDB Monomer ID 50649398BDBM50649398(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
LigandChemical structure of BindingDB Monomer ID 50649404BDBM50649404(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