BDBM38549 2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]ethoxy]ethanol::2-[2-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]ethoxy]ethanol::4-[(3-carboxy-2-hydroxy-1-naphthalenyl)methyl]-3-hydroxy-2-naphthalenecarboxylic acid::4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-2-naphthoic acid::CHEMBL170358::CHEMBL177880::HYDROXYZINE PAMOATE::MLS000028605::Pamoic acid::SMR000058728::US11744839, Compound of formula 8::cid_25096

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

InChI Key InChIKey=WLJNZVDCPSBLRP-UHFFFAOYSA-N

Data  8 KI  12 IC50  1 Kd  10 EC50  1 ITC

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 31 hits for monomerid = 38549   

TargetG-protein coupled receptor 35(Human)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM38549(MLS000028605 | cid_25096 | CHEMBL170358 | SMR00005...)
Affinity DataEC50:  2.10nMAssay Description:Agonist activity at human GPR35 by DMR assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetG-protein coupled receptor 35(Human)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM38549(MLS000028605 | cid_25096 | CHEMBL170358 | SMR00005...)
Affinity DataEC50:  1.20E+3nMAssay Description:Agonist activity at GPR-35 (unknown origin) by beta-arrestin assayMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetG-protein coupled receptor 35(Human)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM38549(MLS000028605 | cid_25096 | CHEMBL170358 | SMR00005...)
Affinity DataEC50:  3nMAssay Description:Agonist activity at GPR-35 (unknown origin) expressed in HT-29 cells by DMR assayMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetG-protein coupled receptor 35(Human)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM38549(MLS000028605 | cid_25096 | CHEMBL170358 | SMR00005...)
Affinity DataEC50:  30nMAssay Description:Agonist activity at human GPR35 by beta-arrestin recruitment assayMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetFlavin reductase (NADPH)(Human)
Korea Basic Science Institute

US Patent
LigandPNGBDBM38549(MLS000028605 | cid_25096 | CHEMBL170358 | SMR00005...)
Affinity DataKd:  1.80E+3nMAssay Description:An enzyme activity assay for BLVRB was conducted. Since BLVRB catalyzes the NAD(P)H dependent readuction of FMN, changes in the NAD(P)H concentration...More data for this Ligand-Target Pair
In DepthDetails
US Patent
PDB3D3D Structure (crystal)
TargetG-protein coupled receptor 35(Human)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM38549(MLS000028605 | cid_25096 | CHEMBL170358 | SMR00005...)
Affinity DataEC50:  2nMAssay Description:Agonist activity at human GPR35 receptor expressed in HT-29 cells assessed as dynamic mass redistribution response measured for 60 mins by DMR assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetG-protein coupled receptor 35(Human)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM38549(MLS000028605 | cid_25096 | CHEMBL170358 | SMR00005...)
Affinity DataEC50:  500nMAssay Description:Agonist activity at human GPR35 receptor expressed in HEK293T cells co-expressing beta-arrestin2 assessed as induction of beta-arrestin2 recruitment ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetG-protein coupled receptor 35(Human)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM38549(MLS000028605 | cid_25096 | CHEMBL170358 | SMR00005...)
Affinity DataEC50:  2nMAssay Description:Agonist activity at human GPR35 expressed in CHO-K1 cells by DMR assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetG-protein coupled receptor 35(Human)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM38549(MLS000028605 | cid_25096 | CHEMBL170358 | SMR00005...)
Affinity DataEC50:  500nMAssay Description:Agonist activity at human GPR35 expressed in CHO-K1 cells after 90 mins by beta-arrestin 2 recruitment assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetG-protein coupled receptor 35(Human)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM38549(MLS000028605 | cid_25096 | CHEMBL170358 | SMR00005...)
Affinity DataEC50:  50nMAssay Description:Agonist activity at human GPR35 expressed in CHO cells assessed as induction of beta-arrestin recruitment after 90 mins by beta-galactosidase reporte...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDNA polymerase beta(Human)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM38549(MLS000028605 | cid_25096 | CHEMBL170358 | SMR00005...)
Affinity DataIC50: 9.00E+3nMAssay Description:Inhibition of DNA polymerase beta (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMevalonate kinase(Streptococcus pneumoniae D39)
Srmlsc

Curated by PubChem BioAssay
LigandPNGBDBM38549(MLS000028605 | cid_25096 | CHEMBL170358 | SMR00005...)
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
PCBioAssay
TargetG-protein coupled receptor 35(Human)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM38549(MLS000028605 | cid_25096 | CHEMBL170358 | SMR00005...)
Affinity DataEC50:  1.20E+3nMAssay Description:Agonist activity at C-terminal beta-galactosidase tagged human recombinant GPR35 expressed in CHO cells after 90 mins by beta-arrestin recruitment as...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM38549(MLS000028605 | cid_25096 | CHEMBL170358 | SMR00005...)
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
PubMed
TargetTyrosine-protein phosphatase 1(Baker's yeast)
Inha University

Curated by ChEMBL
LigandPNGBDBM38549(MLS000028605 | cid_25096 | CHEMBL170358 | SMR00005...)
Affinity DataIC50: 1.00E+6nMAssay Description:Inhibitory activity against Saccharomyces cerevisiae Tyrosine phosphatase 1More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Inha University

Curated by ChEMBL
LigandPNGBDBM38549(MLS000028605 | cid_25096 | CHEMBL170358 | SMR00005...)
Affinity DataIC50: 3.10E+5nMAssay Description:Inhibition of human PTPase 1BMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM38549(MLS000028605 | cid_25096 | CHEMBL170358 | SMR00005...)
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
PubMed
LigandPNGBDBM38549(MLS000028605 | cid_25096 | CHEMBL170358 | SMR00005...)
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
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM38549(MLS000028605 | cid_25096 | CHEMBL170358 | SMR00005...)
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
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM38549(MLS000028605 | cid_25096 | CHEMBL170358 | SMR00005...)
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
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM38549(MLS000028605 | cid_25096 | CHEMBL170358 | SMR00005...)
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
PubMed
TargetMevalonate kinase(Streptococcus pneumoniae D39)
Srmlsc

Curated by PubChem BioAssay
LigandPNGBDBM38549(MLS000028605 | cid_25096 | CHEMBL170358 | SMR00005...)
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
PCBioAssay
TargetMevalonate kinase(Streptococcus pneumoniae D39)
Srmlsc

Curated by PubChem BioAssay
LigandPNGBDBM38549(MLS000028605 | cid_25096 | CHEMBL170358 | SMR00005...)
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
PCBioAssay
TargetG-protein coupled receptor 35(Human)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM38549(MLS000028605 | cid_25096 | CHEMBL170358 | SMR00005...)
Affinity DataKi:  8.90nMAssay Description:Competitive binding affinity to Nluc-fused human GPR35 expressed in CHO-K1 cells assessed as inhibition constant using furimazine as substrate incuba...More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetG-protein coupled receptor 35(Human)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM38549(MLS000028605 | cid_25096 | CHEMBL170358 | SMR00005...)
Affinity DataKi:  9.60nMAssay Description:Competitive binding affinity to Nluc-fused human GPR35 expressed in CHO-K1 cells assessed as inhibition constant using furimazine as substrate incuba...More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetG-protein coupled receptor 35(Human)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM38549(MLS000028605 | cid_25096 | CHEMBL170358 | SMR00005...)
Affinity DataKi:  10nMAssay Description:Competitive binding affinity to Nluc-fused human GPR35 expressed in CHO-K1 cells assessed as inhibition constant using furimazine as substrate incuba...More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetG-protein coupled receptor 35(Human)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM38549(MLS000028605 | cid_25096 | CHEMBL170358 | SMR00005...)
Affinity DataKi:  12nMAssay Description:Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetG-protein coupled receptor 35(Human)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM38549(MLS000028605 | cid_25096 | CHEMBL170358 | SMR00005...)
Affinity DataKi:  15nMAssay Description:Competitive binding affinity to Nluc-fused human GPR35 expressed in CHO-K1 cells assessed as inhibition constant using furimazine as substrate incuba...More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetG-protein coupled receptor 35(Human)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM38549(MLS000028605 | cid_25096 | CHEMBL170358 | SMR00005...)
Affinity DataKi:  23nMAssay Description:Competitive binding affinity to Nluc-fused human GPR35 expressed in CHO-K1 cells assessed as inhibition constant using furimazine as substrate incuba...More data for this Ligand-Target Pair
In DepthDetails
PubMed
LigandPNGBDBM38549(MLS000028605 | cid_25096 | CHEMBL170358 | SMR00005...)
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
PubMed
LigandPNGBDBM38549(MLS000028605 | cid_25096 | CHEMBL170358 | SMR00005...)
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
PubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 38549   

CellFlavin reductase (NADPH)(Human)
Korea Basic Science Institute

US Patent
SyringePNGBDBM38549(MLS000028605 | cid_25096 | CHEMBL170358 | SMR00005...)
ITC DataΔG°: -7.83kcal/mole −TΔS°: -1.08kcal/mole ΔH°: -6.76kcal/mole logk: 5.58E+5
T: 25.00°C