BDBM50028197 2-(difluoromethyl)ornithine::CHEMBL830::EFLORNITHINE

SMILES NCCCC(N)(C(F)F)C(O)=O

InChI Key InChIKey=VLCYCQAOQCDTCN-UHFFFAOYSA-N

Data  1 KI  9 IC50

PDB links: 2 PDB IDs match this monomer.

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 10 hits for monomerid = 50028197   

TargetOrnithine decarboxylase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50028197(2-(difluoromethyl)ornithine | CHEMBL830 | EFLORNIT...)
Show SMILES NCCCC(N)(C(F)F)C(O)=O
Show InChI InChI=1S/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12)
Affinity DataKi:  3.90E+4nMAssay Description:The apparent dissociation constant for irreversible inhibition of rat liver ornithine decarboxylase (ODC)More data for this Ligand-Target Pair
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50028197(2-(difluoromethyl)ornithine | CHEMBL830 | EFLORNIT...)
Show SMILES NCCCC(N)(C(F)F)C(O)=O
Show InChI InChI=1S/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12)
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
TargetBile salt export pump(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50028197(2-(difluoromethyl)ornithine | CHEMBL830 | EFLORNIT...)
Show SMILES NCCCC(N)(C(F)F)C(O)=O
Show InChI InChI=1S/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12)
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
LigandPNGBDBM50028197(2-(difluoromethyl)ornithine | CHEMBL830 | EFLORNIT...)
Show SMILES NCCCC(N)(C(F)F)C(O)=O
Show InChI InChI=1S/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12)
Affinity DataIC50: 2.52E+5nMAssay Description:Inhibition of ODC (unknown origin) expressed in Escherichia coli after 30 mins in presence of [1-14C] L-ornithine by liquid scintillation counter ana...More data for this Ligand-Target Pair
Target60 kDa heat shock protein, mitochondrial(Homo sapiens)
Indiana University

Curated by ChEMBL
LigandPNGBDBM50028197(2-(difluoromethyl)ornithine | CHEMBL830 | EFLORNIT...)
Show SMILES NCCCC(N)(C(F)F)C(O)=O
Show InChI InChI=1S/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12)
Affinity DataIC50: 2.50E+5nMAssay Description:Inhibition of human mitochondrial HSP60/HSP10-ATPase activity expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured M...More data for this Ligand-Target Pair
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University

Curated by ChEMBL
LigandPNGBDBM50028197(2-(difluoromethyl)ornithine | CHEMBL830 | EFLORNIT...)
Show SMILES NCCCC(N)(C(F)F)C(O)=O
Show InChI InChI=1S/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12)
Affinity DataIC50: 2.50E+5nMAssay Description:Inhibition of Escherichia coli GroEL/GroES-ATPase activity expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH ...More data for this Ligand-Target Pair
Target60 kDa heat shock protein, mitochondrial(Homo sapiens)
Indiana University

Curated by ChEMBL
LigandPNGBDBM50028197(2-(difluoromethyl)ornithine | CHEMBL830 | EFLORNIT...)
Show SMILES NCCCC(N)(C(F)F)C(O)=O
Show InChI InChI=1S/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human mitochondrial HSP60/HSP10 expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH refolding pre...More data for this Ligand-Target Pair
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University

Curated by ChEMBL
LigandPNGBDBM50028197(2-(difluoromethyl)ornithine | CHEMBL830 | EFLORNIT...)
Show SMILES NCCCC(N)(C(F)F)C(O)=O
Show InChI InChI=1S/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of Escherichia coli GroEL/GroES expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH refolding preinc...More data for this Ligand-Target Pair
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50028197(2-(difluoromethyl)ornithine | CHEMBL830 | EFLORNIT...)
Show SMILES NCCCC(N)(C(F)F)C(O)=O
Show InChI InChI=1S/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12)
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
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50028197(2-(difluoromethyl)ornithine | CHEMBL830 | EFLORNIT...)
Show SMILES NCCCC(N)(C(F)F)C(O)=O
Show InChI InChI=1S/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12)
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