null

SMILES Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1

InChI Key

  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 20 hits for monomerid = 50070208   

TargetFatty acid synthase(Homo sapiens (Human))TBA
LigandPNGBDBM50070208(A-65006 | AG-1749 | CHEBI:6375 | Lansoprazole | Pr...)copy SMILES
Affinity DataKi:  1.70E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24J0K3RPubMed
TargetFatty acid synthase(Homo sapiens (Human))TBA
LigandPNGBDBM50070208(A-65006 | AG-1749 | CHEBI:6375 | Lansoprazole | Pr...)copy SMILES
Affinity DataKi:  5.30E+3nMAssay Description:Inhibition of purified recombinant FASN TE activity (unknown origin) using 4-MUH as substrate preincubated for 30 mins before substrate addition meas...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20K2B7HPubMed
TargetFatty acid synthase(Homo sapiens (Human))TBA
LigandPNGBDBM50070208(A-65006 | AG-1749 | CHEBI:6375 | Lansoprazole | Pr...)copy SMILES
Affinity DataIC50: 9.30E+4nMAssay Description:Inhibition of FASN in human PANC1 cells assessed as inhibition of [14C]acetate incorporation preincubated for 4 hrs before [14C]acetate addition meas...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20K2B7HPubMed
TargetFatty acid synthase(Homo sapiens (Human))TBA
LigandPNGBDBM50070208(A-65006 | AG-1749 | CHEBI:6375 | Lansoprazole | Pr...)copy SMILES
Affinity DataIC50: 1.24E+5nMAssay Description:Inhibition of FASN in human BxPC3 cells assessed as inhibition of [14C]acetate incorporation preincubated for 4 hrs before [14C]acetate addition meas...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20K2B7HPubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50070208(A-65006 | AG-1749 | CHEBI:6375 | Lansoprazole | Pr...)copy SMILES
Affinity DataIC50: 2.90E+3nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PN97D2PubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50070208(A-65006 | AG-1749 | CHEBI:6375 | Lansoprazole | Pr...)copy SMILES
Affinity DataIC50: 6.46E+3nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PN97D2PubMed
TargetCytochrome P450 2C8(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50070208(A-65006 | AG-1749 | CHEBI:6375 | Lansoprazole | Pr...)copy SMILES
Affinity DataIC50: 5.75E+3nMAssay Description:Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PN97D2PubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50070208(A-65006 | AG-1749 | CHEBI:6375 | Lansoprazole | Pr...)copy SMILES
Affinity DataIC50: 1.92E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PN97D2PubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50070208(A-65006 | AG-1749 | CHEBI:6375 | Lansoprazole | Pr...)copy SMILES
Affinity DataIC50: 1.34E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PN97D2PubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50070208(A-65006 | AG-1749 | CHEBI:6375 | Lansoprazole | Pr...)copy SMILES
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PN97D2PubMed
TargetCytochrome P450 2J2(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM50070208(A-65006 | AG-1749 | CHEBI:6375 | Lansoprazole | Pr...)copy SMILES
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2K0761GPubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen Inc.

Curated by ChEMBL
LigandPNGBDBM50070208(A-65006 | AG-1749 | CHEBI:6375 | Lansoprazole | Pr...)copy SMILES
Affinity DataIC50: 1.35E+5nMAssay Description:Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26Q20JNPubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen Inc.

Curated by ChEMBL
LigandPNGBDBM50070208(A-65006 | AG-1749 | CHEBI:6375 | Lansoprazole | Pr...)copy SMILES
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JM2D2DPubMed
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50070208(A-65006 | AG-1749 | CHEBI:6375 | Lansoprazole | Pr...)copy SMILES
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JM2D2DPubMed
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50070208(A-65006 | AG-1749 | CHEBI:6375 | Lansoprazole | Pr...)copy SMILES
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JM2D2DPubMed
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50070208(A-65006 | AG-1749 | CHEBI:6375 | Lansoprazole | Pr...)copy SMILES
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JM2D2DPubMed
TargetCytosolic endo-beta-N-acetylglucosaminidase(Homo sapiens (Human))
Department of Medicinal Chemistry, University of Utah, Salt Lake City, Utah 84112, United States.

Curated by ChEMBL
LigandPNGBDBM50070208(A-65006 | AG-1749 | CHEBI:6375 | Lansoprazole | Pr...)copy SMILES
Affinity DataIC50: 2.44E+4nMAssay Description:Inhibition of recombinant human C-MYC/DDK-tagged ENGase expressed in HEK293T cells using heat inactivated bovine ribonuclease B as substrate pretreat...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2W66P5JPubMed
LigandPNGBDBM50070208(A-65006 | AG-1749 | CHEBI:6375 | Lansoprazole | Pr...)copy SMILES
Affinity DataIC50: 1.44E+4nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PZ5DT3PubMed
TargetPotassium-transporting ATPase alpha chain 1/subunit beta(Homo sapiens (Human))
Byk Gulden Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50070208(A-65006 | AG-1749 | CHEBI:6375 | Lansoprazole | Pr...)copy SMILES
Affinity DataIC50: 398nMAssay Description:In vitro evaluation for the inhibition of H+/K+ ATPase at pH < 3 in the gastric glands of isolated rabbit stomach.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2QJ7KJHPubMed
TargetFatty acid synthase(Homo sapiens (Human))TBA
LigandPNGBDBM50070208(A-65006 | AG-1749 | CHEBI:6375 | Lansoprazole | Pr...)copy SMILES
Affinity DataIC50: 4.67E+4nMAssay Description:Inhibition of purified recombinant FASN TE activity (unknown origin) using 4-MUH as substrate preincubated for 30 mins before substrate addition meas...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20K2B7HPubMed