Compile Data Set for Download or QSAR
Report error Found 39 Enz. Inhib. hit(s) with all data for entry = 50021791
TargetCytochrome P450 1B1(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50644946(CHEMBL5575235)
Affinity DataIC50: 0.0400nMAssay Description:Inhibition of recombinant human CYP1B1 using 7-ER as substrate in presence of NADPH by fluorescence based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50644938(CHEMBL5570915)
Affinity DataIC50: 0.210nMAssay Description:Inhibition of recombinant human CYP1B1 using 7-ER as substrate in presence of NADPH by fluorescence based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50644940(CHEMBL5568815)
Affinity DataIC50: 0.390nMAssay Description:Inhibition of recombinant human CYP1B1 using 7-ER as substrate in presence of NADPH by fluorescence based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50644946(CHEMBL5575235)
Affinity DataIC50: 0.470nMAssay Description:Inhibition of human CYP1B1 over-expressed in CHO cells preincubated for 3 hrs followed media replacement containing estradiol without compound measur...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50014323(CHEMBL283196 | alpha-naphthoflavone | 2-PHENYL-4H-...)
Affinity DataIC50: 0.570nMAssay Description:Inhibition of recombinant human CYP1B1 using 7-ER as substrate in presence of NADPH by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 1B1(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50644943(CHEMBL5573161)
Affinity DataIC50: 1.40nMAssay Description:Inhibition of recombinant human CYP1B1 using 7-ER as substrate in presence of NADPH by fluorescence based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50644942(CHEMBL5593515)
Affinity DataIC50: 1.80nMAssay Description:Inhibition of recombinant human CYP1B1 using 7-ER as substrate in presence of NADPH by fluorescence based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50644923(CHEMBL2234774)
Affinity DataIC50: 2nMAssay Description:Inhibition of recombinant human CYP1B1 using 7-ER as substrate in presence of NADPH by fluorescence based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50644933(CHEMBL5570143)
Affinity DataIC50: 3.40nMAssay Description:Inhibition of recombinant human CYP1B1 using 7-ER as substrate in presence of NADPH by fluorescence based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50644922(CHEMBL5571101)
Affinity DataIC50: 3.5nMAssay Description:Inhibition of recombinant human CYP1B1 using 7-ER as substrate in presence of NADPH by fluorescence based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50644928(CHEMBL5571763)
Affinity DataIC50: 3.60nMAssay Description:Inhibition of recombinant human CYP1B1 using 7-ER as substrate in presence of NADPH by fluorescence based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50644921(CHEMBL5575134)
Affinity DataIC50: 5.30nMAssay Description:Inhibition of recombinant human CYP1B1 using 7-ER as substrate in presence of NADPH by fluorescence based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50644924(CHEMBL5594783)
Affinity DataIC50: 5.40nMAssay Description:Inhibition of recombinant human CYP1B1 using 7-ER as substrate in presence of NADPH by fluorescence based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50644920(CHEMBL5572172)
Affinity DataIC50: 5.60nMAssay Description:Inhibition of recombinant human CYP1B1 using 7-ER as substrate in presence of NADPH by fluorescence based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50644930(CHEMBL5570286)
Affinity DataIC50: 8nMAssay Description:Inhibition of recombinant human CYP1B1 using 7-ER as substrate in presence of NADPH by fluorescence based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50644929(CHEMBL5568707)
Affinity DataIC50: 12nMAssay Description:Inhibition of recombinant human CYP1B1 using 7-ER as substrate in presence of NADPH by fluorescence based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50644932(CHEMBL5575585)
Affinity DataIC50: 12nMAssay Description:Inhibition of recombinant human CYP1B1 using 7-ER as substrate in presence of NADPH by fluorescence based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50644925(CHEMBL5574118)
Affinity DataIC50: 17nMAssay Description:Inhibition of recombinant human CYP1B1 using 7-ER as substrate in presence of NADPH by fluorescence based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50644937(CHEMBL5570817)
Affinity DataIC50: 18nMAssay Description:Inhibition of recombinant human CYP1B1 using 7-ER as substrate in presence of NADPH by fluorescence based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50644927(CHEMBL5574105)
Affinity DataIC50: 19nMAssay Description:Inhibition of recombinant human CYP1B1 using 7-ER as substrate in presence of NADPH by fluorescence based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50644946(CHEMBL5575235)
Affinity DataKi:  22nMAssay Description:Mixed inhibition of recombinant human CYP1B1 using 7-ER as substrate in presence of NADPH by fluorescence based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50644945(CHEMBL5569238)
Affinity DataIC50: 23nMAssay Description:Inhibition of recombinant human CYP1B1 using 7-ER as substrate in presence of NADPH by fluorescence based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50644948(CHEMBL5572363)
Affinity DataIC50: 30nMAssay Description:Inhibition of recombinant human CYP1B1 using 7-ER as substrate in presence of NADPH by fluorescence based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50644935(CHEMBL5563266)
Affinity DataIC50: 31nMAssay Description:Inhibition of recombinant human CYP1B1 using 7-ER as substrate in presence of NADPH by fluorescence based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50644934(CHEMBL5565432)
Affinity DataIC50: 37nMAssay Description:Inhibition of recombinant human CYP1B1 using 7-ER as substrate in presence of NADPH by fluorescence based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50644936(CHEMBL5563182)
Affinity DataIC50: 42nMAssay Description:Inhibition of recombinant human CYP1B1 using 7-ER as substrate in presence of NADPH by fluorescence based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50644926(CHEMBL5570985)
Affinity DataIC50: 57nMAssay Description:Inhibition of recombinant human CYP1B1 using 7-ER as substrate in presence of NADPH by fluorescence based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50644950(CHEMBL5569459)
Affinity DataIC50: 57nMAssay Description:Inhibition of recombinant human CYP1B1 using 7-ER as substrate in presence of NADPH by fluorescence based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50644951(CHEMBL5573318)
Affinity DataIC50: 67nMAssay Description:Inhibition of recombinant human CYP1B1 using 7-ER as substrate in presence of NADPH by fluorescence based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50644944(CHEMBL5564258)
Affinity DataIC50: 92nMAssay Description:Inhibition of recombinant human CYP1B1 using 7-ER as substrate in presence of NADPH by fluorescence based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50644941(CHEMBL5568976)
Affinity DataIC50: 148nMAssay Description:Inhibition of recombinant human CYP1B1 using 7-ER as substrate in presence of NADPH by fluorescence based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50644947(CHEMBL5574902)
Affinity DataIC50: 156nMAssay Description:Inhibition of recombinant human CYP1B1 using 7-ER as substrate in presence of NADPH by fluorescence based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM66131(cid_3099740 | 6-Amino-2-ethyl-benzo[de]isoquinolin...)
Affinity DataIC50: 162nMAssay Description:Inhibition of recombinant human CYP1B1 using 7-ER as substrate in presence of NADPH by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50644939(CHEMBL5593020)
Affinity DataIC50: 173nMAssay Description:Inhibition of recombinant human CYP1B1 using 7-ER as substrate in presence of NADPH by fluorescence based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50644949(CHEMBL5595771)
Affinity DataIC50: 221nMAssay Description:Inhibition of recombinant human CYP1B1 using 7-ER as substrate in presence of NADPH by fluorescence based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50644918(CHEMBL5575400)
Affinity DataIC50: 605nMAssay Description:Inhibition of recombinant human CYP1B1 using 7-ER as substrate in presence of NADPH by fluorescence based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50644931(CHEMBL5564840)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of recombinant human CYP1B1 using 7-ER as substrate in presence of NADPH by fluorescence based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50644919(CHEMBL5570449)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of recombinant human CYP1B1 using 7-ER as substrate in presence of NADPH by fluorescence based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCytochrome P450 1B1(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50014323(CHEMBL283196 | alpha-naphthoflavone | 2-PHENYL-4H-...)
Affinity DataIC50: 2.73E+3nMAssay Description:Inhibition of human CYP1B1 over-expressed in CHO cells preincubated for 3 hrs followed media replacement containing estradiol without compound measur...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)