null

SMILES OC(=O)c1cc2ccccc2c(Cc2c(O)c(cc3ccccc23)C(O)=O)c1O

InChI Key InChIKey=WLJNZVDCPSBLRP-UHFFFAOYSA-N

PDB links: 2 PDB IDs match this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 38549   

TargetTyrosine-protein phosphatase 1(Saccharomyces cerevisiae)
Inha University

Curated by ChEMBL
LigandPNGBDBM38549(2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+6nMAssay Description:Inhibitory activity against Saccharomyces cerevisiae Tyrosine phosphatase 1More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JS9R01PubMed
TargetIntegrase(Human immunodeficiency virus 1)
National Cancer Institute

Curated by ChEMBL
LigandPNGBDBM38549(2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...)copy SMILEScopy InChI
Affinity DataIC50: 3.86E+4nMAssay Description:Inhibitory concentration of compound against strand transfer of HIV-1 integrase in experiment 2More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NK3FPVPubMed
TargetDNA polymerase beta(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM38549(2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...)copy SMILEScopy InChI
Affinity DataIC50: 9.00E+3nMAssay Description:Inhibition of DNA polymerase beta (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20C4X5BPubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Inha University

Curated by ChEMBL
LigandPNGBDBM38549(2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...)copy SMILEScopy InChI
Affinity DataIC50: 3.10E+5nMAssay Description:Inhibition of human PTPase 1BMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JS9R01PubMed
TargetSolute carrier organic anion transporter family member 1B1(Homo sapiens (Human))
KU Leuven

Curated by ChEMBL
LigandPNGBDBM38549(2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...)copy SMILEScopy InChI
Affinity DataIC50: 813nMAssay Description:pIC50 values for sodium fluorescein (10 uM) uptake in OATP1B1-transfected CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2TB18BPPubMed
TargetSolute carrier organic anion transporter family member 1B3(Homo sapiens (Human))
KU Leuven

Curated by ChEMBL
LigandPNGBDBM38549(2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...)copy SMILEScopy InChI
Affinity DataIC50: 1.23E+3nMAssay Description:pIC50 values for sodium fluorescein (10 uM) uptake in OATP1B3-transfected CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2TB18BPPubMed
TargetIntegrase(Human immunodeficiency virus 1)
National Cancer Institute

Curated by ChEMBL
LigandPNGBDBM38549(2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...)copy SMILEScopy InChI
Affinity DataIC50: 7.86E+4nMAssay Description:Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in experiment 2More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NK3FPVPubMed
TargetIntegrase(Human immunodeficiency virus 1)
National Cancer Institute

Curated by ChEMBL
LigandPNGBDBM38549(2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...)copy SMILEScopy InChI
Affinity DataIC50: 4.58E+4nMAssay Description:Inhibitory concentration of compound against strand transfer of HIV-1 integrase in experiment 1More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NK3FPVPubMed
TargetIntegrase(Human immunodeficiency virus 1)
National Cancer Institute

Curated by ChEMBL
LigandPNGBDBM38549(2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...)copy SMILEScopy InChI
Affinity DataIC50: 6.18E+4nMAssay Description:Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in experiment 1More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NK3FPVPubMed
TargetMevalonate kinase(Streptococcus pneumoniae D39)
SRMLSC

Curated by PubChem BioAssay
LigandPNGBDBM38549(2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...)copy SMILEScopy InChI
Affinity DataIC50: 539nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2CF9NG2PCBioAssay
TargetMevalonate kinase(Streptococcus pneumoniae D39)
SRMLSC

Curated by PubChem BioAssay
LigandPNGBDBM38549(2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+7nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q27P8WSSPCBioAssay
TargetMevalonate kinase(Streptococcus pneumoniae D39)
SRMLSC

Curated by PubChem BioAssay
LigandPNGBDBM38549(2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...)copy SMILEScopy InChI
Affinity DataIC50: 511nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q23X852VPCBioAssay

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 38549   

CellFlavin reductase (NADPH)(Homo sapiens)TBA
SyringePNGBDBM38549(2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...)
ITC DataΔG°: -7.83kcal/mole −TΔS°: -1.08kcal/mole ΔH°: -6.76kcal/mole logk: 5.58E+5
T: 25.00°C