BDBM50219566 4-bromo-3-carboxymethoxy-5-[3-(1-phenylmethanesulfonylpiperidin-4-ylamino)phenyl]thiophene-2-carboxylic acid::5-(3-(1-(benzylsulfonyl)piperidin-4-ylamino)phenyl)-4-bromo-3-(carboxymethoxy)thiophene-2-carboxylic acid::5-(3-{[1-(BENZYLSULFONYL)PIPERIDIN-4-YL]AMINO}PHENYL)-4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID::CHEMBL541214

SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(NC2CCN(CC2)S(=O)(=O)Cc2ccccc2)c1

InChI Key InChIKey=FEPAAIQAIYOLJA-UHFFFAOYSA-N

Data  7 KI  7 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 14 hits for monomerid = 50219566   

TargetCytochrome P450 2A6(Human)
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50219566(5-(3-(1-(benzylsulfonyl)piperidin-4-ylamino)phenyl...)
Affinity DataIC50: 5.00E+5nMAssay Description:Inhibition of CYP2A6More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 2C8(Human)
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50219566(5-(3-(1-(benzylsulfonyl)piperidin-4-ylamino)phenyl...)
Affinity DataIC50: 5.00E+5nMAssay Description:Inhibition of CYP2C8More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50219566(5-(3-(1-(benzylsulfonyl)piperidin-4-ylamino)phenyl...)
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50219566(5-(3-(1-(benzylsulfonyl)piperidin-4-ylamino)phenyl...)
Affinity DataIC50: 5.00E+5nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50219566(5-(3-(1-(benzylsulfonyl)piperidin-4-ylamino)phenyl...)
Affinity DataIC50: 5.00E+5nMAssay Description:Inhibition of CYP1A2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50219566(5-(3-(1-(benzylsulfonyl)piperidin-4-ylamino)phenyl...)
Affinity DataIC50: 5.00E+5nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50219566(5-(3-(1-(benzylsulfonyl)piperidin-4-ylamino)phenyl...)
Affinity DataIC50: 5.00E+5nMAssay Description:Inhibition of CYP2C19More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50219566(5-(3-(1-(benzylsulfonyl)piperidin-4-ylamino)phenyl...)
Affinity DataKi:  4nMAssay Description:Inhibition of human recombinant PTP1BMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50219566(5-(3-(1-(benzylsulfonyl)piperidin-4-ylamino)phenyl...)
Affinity DataKi:  4nMAssay Description:Inhibition of PTP1BMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2010
Entry Details Article
PubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50219566(5-(3-(1-(benzylsulfonyl)piperidin-4-ylamino)phenyl...)
Affinity DataKi:  4nMAssay Description:Inhibition of PTP1B (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMed
TargetTyrosine-protein phosphatase non-receptor type 2(Human)
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50219566(5-(3-(1-(benzylsulfonyl)piperidin-4-ylamino)phenyl...)
Affinity DataKi:  5nMAssay Description:Inhibition of human recombinant TCPTPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetTyrosine-protein phosphatase non-receptor type 2(Human)
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50219566(5-(3-(1-(benzylsulfonyl)piperidin-4-ylamino)phenyl...)
Affinity DataKi:  5nMAssay Description:Inhibition of TCPTPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2010
Entry Details Article
PubMed
TargetReceptor-type tyrosine-protein phosphatase C(Human)
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50219566(5-(3-(1-(benzylsulfonyl)piperidin-4-ylamino)phenyl...)
Affinity DataKi:  7.70E+4nMAssay Description:Inhibition of human recombinant CD45More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetReceptor-type tyrosine-protein phosphatase F(Human)
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50219566(5-(3-(1-(benzylsulfonyl)piperidin-4-ylamino)phenyl...)
Affinity DataKi: >5.00E+5nMAssay Description:Inhibition of human recombinant LARMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed