BDBM50382546 CHEMBL2022996

SMILES Cc1cccc(c1)C(CC[C@H](C(=O)O)N)(c2ccccc2)c3ccccc3

InChI Key InChIKey=JXIGVUPYYZGRRZ-UHFFFAOYSA-N

Data  6 KI  6 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50382546   

TargetPotassium voltage-gated channel subfamily H member 2(Human)
The Beatson Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50382546(CHEMBL2022996)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
The Beatson Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50382546(CHEMBL2022996)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP1A2More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
The Beatson Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50382546(CHEMBL2022996)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
The Beatson Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50382546(CHEMBL2022996)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
The Beatson Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50382546(CHEMBL2022996)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
The Beatson Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50382546(CHEMBL2022996)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2C19More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetKinesin-like protein KIF11(Human)
The Beatson Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50382546(CHEMBL2022996)
Affinity DataEC50:  73nMAssay Description:Inhibition of N-terminal hexa-histidine tagged human cloned Eg5 (1 to 368 amino acids) expressed in Escherichia coli BL21 (DE3) assessed as reduction...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetKinesin-like protein KIF11(Human)
The Beatson Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50382546(CHEMBL2022996)
Affinity DataKi:  5.10nMAssay Description:Inhibition of N-terminal hexa-histidine tagged human cloned Eg5 (1 to 368 amino acids) expressed in Escherichia coli BL21 (DE3) assessed as reduction...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetKinesin-like protein KIF11(Human)
The Beatson Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50382546(CHEMBL2022996)
Affinity DataKi:  6.40nMAssay Description:Inhibition of N-terminal hexa-histidine tagged human cloned Eg5 (1 to 368 amino acids) expressed in Escherichia coli BL21 (DE3) assessed as reduction...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetKinesin-like protein KIF11(Human)
The Beatson Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50382546(CHEMBL2022996)
Affinity DataKi:  7.10nMAssay Description:Inhibition of MT-stimulated human N-terminal His6-tagged Eg5 (1 to 368 amino acid residues) motor domain ATPase activity expressed in Escherichia col...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetKinesin-like protein KIF11(Human)
The Beatson Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50382546(CHEMBL2022996)
Affinity DataKi:  10.2nMAssay Description:Inhibition of N-terminal hexa-histidine tagged human cloned Eg5 (1 to 368 amino acids) expressed in Escherichia coli BL21 (DE3) assessed as reduction...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetKinesin-like protein KIF11(Human)
The Beatson Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50382546(CHEMBL2022996)
Affinity DataKi:  12nMAssay Description:Inhibition of human N-terminal His6-tagged Eg5 (1 to 368 amino acid residues) motor domain basal ATPase activity expressed in Escherichia coli BL21 (...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetKinesin-like protein KIF11(Human)
The Beatson Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50382546(CHEMBL2022996)
Affinity DataKi:  12.2nMAssay Description:Inhibition of N-terminal hexa-histidine tagged human cloned Eg5 (1 to 368 amino acids) expressed in Escherichia coli BL21 (DE3) assessed as reduction...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)