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:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 38549   

TargetG-protein coupled receptor 35(Homo sapiens (Human))TBA
LigandPNGBDBM38549(2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...)copy SMILEScopy InChI
Affinity DataKi:  8.90nMMore data for this Ligand-Target Pair
In DepthDetails
TargetG-protein coupled receptor 35(Homo sapiens (Human))TBA
LigandPNGBDBM38549(2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...)copy SMILEScopy InChI
Affinity DataKi:  9.60nMMore data for this Ligand-Target Pair
In DepthDetails
TargetG-protein coupled receptor 35(Homo sapiens (Human))TBA
LigandPNGBDBM38549(2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...)copy SMILEScopy InChI
Affinity DataKi:  10nMMore data for this Ligand-Target Pair
In DepthDetails
TargetG-protein coupled receptor 35(Homo sapiens (Human))TBA
LigandPNGBDBM38549(2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...)copy SMILEScopy InChI
Affinity DataKi:  12nMAssay Description:Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysisChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2G16280PubMed
TargetG-protein coupled receptor 35(Homo sapiens (Human))TBA
LigandPNGBDBM38549(2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...)copy SMILEScopy InChI
Affinity DataKi:  15nMMore data for this Ligand-Target Pair
In DepthDetails
TargetG-protein coupled receptor 35(Homo sapiens (Human))TBA
LigandPNGBDBM38549(2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...)copy SMILEScopy InChI
Affinity DataKi:  23nMMore data for this Ligand-Target Pair
In DepthDetails
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 DataKi:  450nMAssay Description:Ki 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 DataKi:  940nMAssay Description:Ki 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

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