BDBM50527963 CHEMBL4557940

SMILES OC(=O)CCCCCCCNn1nnc2ccccc12

InChI Key InChIKey=XRQULSHHDALTQA-UHFFFAOYSA-N

Data  1 KI  28 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 50527963   

TargetCytochrome P450 4Z1(Homo sapiens)
University Of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataKi:  2.20E+3nMAssay Description:Inhibition of CYP4Z1 (unknown origin) in human HepG2 cell membranes transduced with lentiviral vector using luciferin-benzyl ether as substrate prein...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
University Of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50:  5.50E+4nMAssay Description:Inhibition of CYP1A2 in human pooled liver microsomes using phenacetin as substrate preincubated with NADPH for 30 mins followed by substrate additio...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
University Of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50:  8.26E+5nMAssay Description:Inhibition of CYP2D6 in human pooled liver microsomes using dextromethorphan as substrate after 10 mins by UPLC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2B6(Homo sapiens (Human))
University Of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50:  6.20E+4nMAssay Description:Inhibition of CYP2B6 in human pooled liver microsomes using bupropion as substrate preincubated with NADPH for 30 mins followed by substrate addition...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C8(Homo sapiens (Human))
University Of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50:  8.40E+4nMAssay Description:Inhibition of CYP2C8 in human pooled liver microsomes using amodiaquine as substrate preincubated with NADPH for 30 mins followed by substrate additi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
University Of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50:  3.30E+5nMAssay Description:Inhibition of CYP2C9 in human pooled liver microsomes using tolbutamide as substrate preincubated with NADPH for 30 mins followed by substrate additi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
University Of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50:  2.99E+5nMAssay Description:Inhibition of CYP2D6 in human pooled liver microsomes using dextromethorphan as substrate preincubated with NADPH for 30 mins followed by substrate a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 4Z1(Homo sapiens)
University Of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50:  5.90E+3nMAssay Description:Inhibition of CYP4Z1 (unknown origin) in human HepG2 cell membranes transduced with lentiviral vector using luciferin-benzyl ether as substrate incub...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 4Z1(Homo sapiens)
University Of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50:  200nMAssay Description:Inhibition of CYP4Z1 (unknown origin) in human HepG2 cell membranes transduced with lentiviral vector using luciferin-benzyl ether as substrate prein...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 4F3(Homo sapiens)
University Of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50:  2.64E+5nMAssay Description:Inhibition of recombinant human CYP4F3A expressed in baculovirus infected insect cells using Luc-4F2/3 as substrate after 10 mins in presence of NADP...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 4F2(Homo sapiens (Human))
University Of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50:  2.21E+5nMAssay Description:Inhibition of recombinant human CYP4F2 expressed in baculovirus infected insect cells using Luc-4F2/3 as substrate preincubated with NADPH for 30 min...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 4F12(Homo sapiens)
University Of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50:  5.70E+4nMAssay Description:Inhibition of recombinant human CYP4F12 expressed in baculovirus infected insect cells using Luc-BE as substrate preincubated with NADPH for 30 mins ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 4F12(Homo sapiens)
University Of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50:  1.67E+5nMAssay Description:Inhibition of recombinant human CYP4F12 expressed in baculovirus infected insect cells using Luc-BE as substrate after 10 mins in presence of NADPH b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 4F3(Homo sapiens)
University Of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50:  4.47E+5nMAssay Description:Inhibition of recombinant human CYP4F3A expressed in baculovirus infected insect cells using Luc-4F2/3 as substrate preincubated with NADPH for 30 mi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 4F8(Homo sapiens)
University Of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50:  4.60E+4nMAssay Description:Inhibition of CYP4F8 (unknown origin) in human HepG2 cell membranes transduced with lentiviral vector using Luc-BE as substrate preincubated with NAD...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4/3A5(Homo sapiens (Human))
University Of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50:  2.44E+5nMAssay Description:Inhibition of CYP3A4/5 in human pooled liver microsomes using midazolam as substrate after 10 mins by UPLC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 4A11(Homo sapiens)
University Of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50:  1.79E+5nMAssay Description:Inhibition of recombinant human CYP4A11 expressed in baculovirus infected insect cells using Luc-4A as substrate preincubated with NADPH for 30 mins ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 4F3(Homo sapiens)
University Of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50:  2.13E+5nMAssay Description:Inhibition of recombinant human CYP4F3B expressed in baculovirus infected insect cells using Luc-4F2/3 as substrate preincubated with NADPH for 30 mi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 4F2(Homo sapiens (Human))
University Of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50:  2.12E+5nMAssay Description:Inhibition of recombinant human CYP4F2 expressed in baculovirus infected insect cells using Luc-4F2/3 as substrate after 10 mins in presence of NADPH...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 4A11(Homo sapiens)
University Of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50:  2.82E+5nMAssay Description:Inhibition of recombinant human CYP4A11 expressed in baculovirus infected insect cells using Luc-4A as substrate after 10 mins in presence of NADPH b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 4F3(Homo sapiens)
University Of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50:  1.87E+5nMAssay Description:Inhibition of recombinant human CYP4F3B expressed in baculovirus infected insect cells using Luc-4F2/3 as substrate after 10 mins in presence of NADP...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2B6(Homo sapiens (Human))
University Of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50:  2.57E+5nMAssay Description:Inhibition of CYP2B6 in human pooled liver microsomes using bupropion as substrate after 10 mins by UPLC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
University Of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50:  7.59E+5nMAssay Description:Inhibition of CYP2C19 in human pooled liver microsomes using (S)-mephenytoin as substrate after 10 mins by UPLC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
University Of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50:  3.43E+5nMAssay Description:Inhibition of CYP2C9 in human pooled liver microsomes using tolbutamide as substrate after 10 mins by UPLC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4/3A5(Homo sapiens (Human))
University Of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50:  1.28E+5nMAssay Description:Inhibition of CYP3A4/5 in human pooled liver microsomes using midazolam as substrate preincubated with NADPH for 30 mins followed by substrate additi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
University Of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50:  2.46E+5nMAssay Description:Inhibition of CYP2C19 in human pooled liver microsomes using (S)-mephenytoin as substrate preincubated with NADPH for 30 mins followed by substrate a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 4F8(Homo sapiens)
University Of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50:  9.10E+4nMAssay Description:Inhibition of CYP4F8 (unknown origin) in human HepG2 cell membranes transduced with lentiviral vector using Luc-BE as substrate after 10 mins in pres...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
University Of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50:  6.14E+5nMAssay Description:Inhibition of CYP1A2 in human pooled liver microsomes using phenacetin as substrate after 10 mins by UPLC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C8(Homo sapiens (Human))
University Of Washington

Curated by ChEMBL
LigandPNGBDBM50527963(CHEMBL4557940)
Affinity DataIC50:  3.06E+5nMAssay Description:Inhibition of CYP2C8 in human pooled liver microsomes using amodiaquine as substrate after 10 mins by UPLC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed