Compile Data Set for Download or QSAR

Found 21 hits of Enzyme Inhibition Constant Data   

TargetCytochrome P450 1B1(Homo sapiens (Human))
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50108052(1-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-2,4-dimethoxy...)copy SMILEScopy InChI
Affinity DataKi:  3nMAssay Description:Inhibition of human CYP1B1 using ethoxyresorufin as substrate preincubated for 3 mins followed by NADPH addition measured after 10 mins by EROD assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2930XFFPubMed
TargetCytochrome P450 1B1(Homo sapiens (Human))
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM23926((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)copy SMILEScopy InChI
Affinity DataKi:  750nMAssay Description:Mixed type inhibition of human CYP1B1 by EROD assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2930XFFPubMed
TargetCytochrome P450 1B1(Homo sapiens (Human))
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM23409(3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-...)copy SMILEScopy InChI
Affinity DataKi:  3.00E+3nMAssay Description:Inhibition of human liver microsomes CYP1B1 expressed in Escherichia coli DH5alpha cell membranes coexpressing human NADPH-cytochrome P450 reductase ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2930XFFPubMed
TargetCytochrome P450 1B1(Homo sapiens (Human))
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50081711(CHEMBL3421639)copy SMILEScopy InChI
Affinity DataIC50: 0.0430nMAssay Description:Inhibition of human CYP1B1 by EROD assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2930XFFPubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50507600(CHEMBL4467401)copy SMILEScopy InChI
Affinity DataIC50: 1nMAssay Description:Inhibition of human CYP1A1 by EROD assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2930XFFPubMed
TargetCytochrome P450 1B1(Homo sapiens (Human))
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50507596(CHEMBL4532099)copy SMILEScopy InChI
Affinity DataIC50: 3.60nMAssay Description:Inhibition of human CYP1B1 using 7-Ethoxyresorufin as substrate after 30 mins in presence of NADP+ by EROD assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2930XFFPubMed
TargetCytochrome P450 1B1(Homo sapiens (Human))
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50507598(CHEMBL4539787)copy SMILEScopy InChI
Affinity DataIC50: 3.90nMAssay Description:Inhibition of human CYP1B1 using 7-Ethoxyresorufin as substrate after 30 mins in presence of NADP+ by EROD assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2930XFFPubMed
TargetCytochrome P450 1B1(Homo sapiens (Human))
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50507599(CHEMBL4456952)copy SMILEScopy InChI
Affinity DataIC50: 4.10nMAssay Description:Inhibition of human CYP1B1 using 7-Ethoxyresorufin as substrate after 30 mins in presence of NADP+ by EROD assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2930XFFPubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50507598(CHEMBL4539787)copy SMILEScopy InChI
Affinity DataIC50: 11nMAssay Description:Inhibition of human CYP1A1 using 7-Ethoxyresorufin as substrate after 15 mins in presence of NADP+ by EROD assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2930XFFPubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50507596(CHEMBL4532099)copy SMILEScopy InChI
Affinity DataIC50: 20nMAssay Description:Inhibition of human CYP1A1 using 7-Ethoxyresorufin as substrate after 15 mins in presence of NADP+ by EROD assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2930XFFPubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50507599(CHEMBL4456952)copy SMILEScopy InChI
Affinity DataIC50: 65nMAssay Description:Inhibition of human CYP1A1 using 7-Ethoxyresorufin as substrate after 15 mins in presence of NADP+ by EROD assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2930XFFPubMed
TargetCytochrome P450 1B1(Homo sapiens (Human))
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50203126(3,4-dimethoxy-6,7-dihydro-[1,3]dioxolo[4,5-g]pyrid...)copy SMILEScopy InChI
Affinity DataIC50: 94nMAssay Description:Inhibition of human CYP1B1 expressed in Escherichia coli DH5alpha cell membranes coexpressing human NADPH-cytochrome P450 reductase using 7-Ethoxyres...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2930XFFPubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50507598(CHEMBL4539787)copy SMILEScopy InChI
Affinity DataIC50: 190nMAssay Description:Inhibition of human CYP1A2 using 7-Ethoxyresorufin as substrate after 50 mins in presence of NADP+ by EROD assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2930XFFPubMed
TargetCytochrome P450 1B1(Homo sapiens (Human))
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50507597(CHEMBL4441355)copy SMILEScopy InChI
Affinity DataIC50: 500nMAssay Description:Inhibition of CYP1B1 in human MCF7 cells assessed as reduction in DMBA-induced CYP1B1-mediated EROD activity by EROD assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2930XFFPubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50507596(CHEMBL4532099)copy SMILEScopy InChI
Affinity DataIC50: 588nMAssay Description:Inhibition of human CYP1A2 using 7-Ethoxyresorufin as substrate after 50 mins in presence of NADP+ by EROD assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2930XFFPubMed
TargetCytochrome P450 1B1(Homo sapiens (Human))
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM23926((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)copy SMILEScopy InChI
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibition of human CYP1B1 by EROD assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2930XFFPubMed
TargetCytochrome P450 1B1(Homo sapiens (Human))
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50507597(CHEMBL4441355)copy SMILEScopy InChI
Affinity DataIC50: 2.50E+3nMAssay Description:Inhibition of CYP1B1 in human MCF7 cells assessed as reduction in TCDD-induced CYP1B1-mediated EROD activity by EROD assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2930XFFPubMed
TargetCytochrome P450 1B1(Homo sapiens (Human))
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50203126(3,4-dimethoxy-6,7-dihydro-[1,3]dioxolo[4,5-g]pyrid...)copy SMILEScopy InChI
Affinity DataIC50: 2.50E+3nMAssay Description:Inhibition of CYP1B1 in human HepG2 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2930XFFPubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50507599(CHEMBL4456952)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of human CYP1A2 using 7-Ethoxyresorufin as substrate after 50 mins in presence of NADP+ by EROD assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2930XFFPubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM23926((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)copy SMILEScopy InChI
Affinity DataIC50: 1.10E+4nMAssay Description:Inhibition of human CYP1A1 using ethoxyresorufin as substrate by MROD assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2930XFFPubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM23926((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)copy SMILEScopy InChI
Affinity DataIC50: 2.30E+4nMAssay Description:Inhibition of human CYP1A1 using ethoxyresorufin as substrate by EROD assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2930XFFPubMed
* indicates data uncertainty>20%