Compile Data Set for Download or QSAR
Report error Found 33 Enz. Inhib. hit(s) with all data for entry = 50022279
TargetCytochrome P450 1B1(Human)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50014323BDBM50014323(CHEMBL283196 | alpha-naphthoflavone | 2-PHENYL-4H-...)
Affinity DataIC50: 1.90nMAssay Description:Inhibition of human recombinant CYP1B1 assessed as fluorescence of resorufinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 1B1(Human)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50650204BDBM50650204(CHEMBL5624912)
Affinity DataIC50: 3.60nMAssay Description:Inhibition of human CYP1B1 in human liver microsomes by LC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50650204BDBM50650204(CHEMBL5624912)
Affinity DataIC50: 3.60nMAssay Description:Inhibition of human recombinant CYP1B1 assessed as fluorescence of resorufinMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50650204BDBM50650204(CHEMBL5624912)
Affinity DataKi:  3.90nMAssay Description:Competitive inhibition of human CYP1B1 overexpressed in CHO cells assessed as protein catalyzed 7-ER O-deethylation by kinetic analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50486850BDBM50486850(CHEMBL58557)
Affinity DataIC50: 4.70nMAssay Description:Inhibition of human recombinant CYP1B1 assessed as fluorescence of resorufinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50650195BDBM50650195(CHEMBL5631026)
Affinity DataIC50: 6.5nMAssay Description:Inhibition of human recombinant CYP1B1 assessed as fluorescence of resorufinMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50650197BDBM50650197(CHEMBL5630901)
Affinity DataIC50: 7.90nMAssay Description:Inhibition of human recombinant CYP1B1 assessed as fluorescence of resorufinMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50650202BDBM50650202(CHEMBL5630146)
Affinity DataIC50: 10nMAssay Description:Inhibition of human recombinant CYP1B1 assessed as fluorescence of resorufinMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50627069BDBM50627069(CHEMBL5414115)
Affinity DataIC50: 11nMAssay Description:Inhibition of human recombinant CYP1B1 assessed as fluorescence of resorufinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50650200BDBM50650200(CHEMBL5624595)
Affinity DataIC50: 11nMAssay Description:Inhibition of human recombinant CYP1B1 assessed as fluorescence of resorufinMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50650199BDBM50650199(CHEMBL5631046)
Affinity DataIC50: 12nMAssay Description:Inhibition of human recombinant CYP1B1 assessed as fluorescence of resorufinMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50650196BDBM50650196(CHEMBL5630137)
Affinity DataIC50: 14nMAssay Description:Inhibition of human recombinant CYP1B1 assessed as fluorescence of resorufinMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50650201BDBM50650201(CHEMBL5630143)
Affinity DataIC50: 21nMAssay Description:Inhibition of human recombinant CYP1B1 assessed as fluorescence of resorufinMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50650190BDBM50650190(CHEMBL5624509)
Affinity DataIC50: 24nMAssay Description:Inhibition of human recombinant CYP1B1 assessed as fluorescence of resorufinMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50572884BDBM50572884(CHEMBL571956)
Affinity DataIC50: 26nMAssay Description:Inhibition of human recombinant CYP1B1 assessed as fluorescence of resorufinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50278865BDBM50278865(WR-072952 | 3-phenyl-1-p-tolylprop-2-en-1-one | CH...)
Affinity DataIC50: 31nMAssay Description:Inhibition of human recombinant CYP1B1 assessed as fluorescence of resorufinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50650198BDBM50650198(CHEMBL5625150)
Affinity DataIC50: 34nMAssay Description:Inhibition of human recombinant CYP1B1 assessed as fluorescence of resorufinMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50650203BDBM50650203(CHEMBL5624463)
Affinity DataIC50: 35nMAssay Description:Inhibition of human recombinant CYP1B1 assessed as fluorescence of resorufinMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50650187BDBM50650187(CHEMBL464697)
Affinity DataIC50: 36nMAssay Description:Inhibition of human recombinant CYP1B1 assessed as fluorescence of resorufinMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50650188BDBM50650188(CHEMBL227561)
Affinity DataIC50: 43nMAssay Description:Inhibition of human recombinant CYP1B1 assessed as fluorescence of resorufinMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50650189BDBM50650189(CHEMBL5631027)
Affinity DataIC50: 56nMAssay Description:Inhibition of human recombinant CYP1B1 assessed as fluorescence of resorufinMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50650194BDBM50650194(CHEMBL5630516)
Affinity DataIC50: 61nMAssay Description:Inhibition of human recombinant CYP1B1 assessed as fluorescence of resorufinMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50650191BDBM50650191(CHEMBL5624485)
Affinity DataIC50: 62nMAssay Description:Inhibition of human recombinant CYP1B1 assessed as fluorescence of resorufinMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50650192BDBM50650192(CHEMBL5631062)
Affinity DataIC50: 73nMAssay Description:Inhibition of human recombinant CYP1B1 assessed as fluorescence of resorufinMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 76552BDBM76552((E)-1-[4-(dimethylamino)phenyl]-3-phenyl-2-propen-...)
Affinity DataIC50: 110nMAssay Description:Inhibition of human recombinant CYP1B1 assessed as fluorescence of resorufinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50141532BDBM50141532(1-(4-methoxyphenyl)-3-phenylprop-2-en-1-one (6) | ...)
Affinity DataIC50: 180nMAssay Description:Inhibition of human recombinant CYP1B1 assessed as fluorescence of resorufinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50650193BDBM50650193(CHEMBL5630778)
Affinity DataIC50: 197nMAssay Description:Inhibition of human recombinant CYP1B1 assessed as fluorescence of resorufinMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50650185BDBM50650185(CHEMBL286151)
Affinity DataIC50: 280nMAssay Description:Inhibition of human recombinant CYP1B1 assessed as fluorescence of resorufinMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 29143BDBM29143(Chalcone, 13 | CHEMBL7976 | cid_637760 | Chalcone ...)
Affinity DataIC50: 305nMAssay Description:Inhibition of human recombinant CYP1B1 assessed as fluorescence of resorufinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50650204BDBM50650204(CHEMBL5624912)
Affinity DataIC50: 550nMAssay Description:Inhibition of human CYP1B1 overexpressed in CHO cells assessed as protein catalyzed estradiol hydroxylation in living cells by measuring residual act...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50650186BDBM50650186(CHEMBL463017)
Affinity DataIC50: 1.06E+3nMAssay Description:Inhibition of human recombinant CYP1B1 assessed as fluorescence of resorufinMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50042986BDBM50042986((E)-1-(4-Hydroxy-phenyl)-3-phenyl-propenone | 1-(4...)
Affinity DataIC50: 1.13E+3nMAssay Description:Inhibition of human recombinant CYP1B1 assessed as fluorescence of resorufinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50014323BDBM50014323(CHEMBL283196 | alpha-naphthoflavone | 2-PHENYL-4H-...)
Affinity DataIC50: 2.77E+3nMAssay Description:Inhibition of human CYP1B1 overexpressed in CHO cells assessed as protein catalyzed estradiol hydroxylation in living cells by measuring residual act...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)