BindingDB PrimarySearch

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::cid_25096

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

InChI Key: InChIKey=WLJNZVDCPSBLRP-UHFFFAOYSA-N

Data: 3 KI 12 IC50 5 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 38549
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
G-protein coupled receptor 35 (Homo sapiens (Human))	BDBM38549 (2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis				J Med Chem 56: 7084-99 (2013) Checked by Author Article DOI: 10.1021/jm4009373 BindingDB Entry DOI: 10.7270/Q2G16280
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
Solute carrier organic anion transporter family member 1B1 (OATP1B1) (Homo sapiens (Human))	BDBM38549 (2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...) Show SMILES Show InChI	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
KU Leuven Curated by ChEMBL					Assay Description Ki values for sodium fluorescein (10 uM) uptake in OATP1B1-transfected CHO cells				Mol Pharmacol 83: 1257-67 (2013) Article DOI: 10.1124/mol.112.084152 BindingDB Entry DOI: 10.7270/Q2TB18BP
KU Leuven Curated by ChEMBL					More data for this Ligand-Target Pair
Solute carrier organic anion transporter family member 1B3 (OATP1B3) (Homo sapiens (Human))	BDBM38549 (2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
KU Leuven Curated by ChEMBL					Assay Description Ki values for sodium fluorescein (10 uM) uptake in OATP1B3-transfected CHO cells				Mol Pharmacol 83: 1257-67 (2013) Article DOI: 10.1124/mol.112.084152 BindingDB Entry DOI: 10.7270/Q2TB18BP
KU Leuven Curated by ChEMBL					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM38549 (2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.18E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in experiment 1				J Med Chem 40: 942-51 (1997) Article DOI: 10.1021/jm960759e BindingDB Entry DOI: 10.7270/Q2NK3FPV
National Cancer Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM38549 (2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory concentration of compound against strand transfer of HIV-1 integrase in experiment 1				J Med Chem 40: 942-51 (1997) Article DOI: 10.1021/jm960759e BindingDB Entry DOI: 10.7270/Q2NK3FPV
National Cancer Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM38549 (2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.86E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in experiment 2				J Med Chem 40: 942-51 (1997) Article DOI: 10.1021/jm960759e BindingDB Entry DOI: 10.7270/Q2NK3FPV
National Cancer Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Solute carrier organic anion transporter family member 1B3 (OATP1B3) (Homo sapiens (Human))	BDBM38549 (2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
KU Leuven Curated by ChEMBL					Assay Description pIC50 values for sodium fluorescein (10 uM) uptake in OATP1B3-transfected CHO cells				Mol Pharmacol 83: 1257-67 (2013) Article DOI: 10.1124/mol.112.084152 BindingDB Entry DOI: 10.7270/Q2TB18BP
KU Leuven Curated by ChEMBL					More data for this Ligand-Target Pair
Solute carrier organic anion transporter family member 1B1 (OATP1B1) (Homo sapiens (Human))	BDBM38549 (2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...) Show SMILES Show InChI	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	813	n/a	n/a	n/a	n/a	n/a	n/a
KU Leuven Curated by ChEMBL					Assay Description pIC50 values for sodium fluorescein (10 uM) uptake in OATP1B1-transfected CHO cells				Mol Pharmacol 83: 1257-67 (2013) Article DOI: 10.1124/mol.112.084152 BindingDB Entry DOI: 10.7270/Q2TB18BP
KU Leuven Curated by ChEMBL					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM38549 (2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
Inha University Curated by ChEMBL					Assay Description Inhibition of human PTPase 1B				Bioorg Med Chem Lett 14: 1923-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.079 BindingDB Entry DOI: 10.7270/Q2JS9R01
Inha University Curated by ChEMBL					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1 (Saccharomyces cerevisiae)	BDBM38549 (2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Inha University Curated by ChEMBL					Assay Description Inhibitory activity against Saccharomyces cerevisiae Tyrosine phosphatase 1				Bioorg Med Chem Lett 14: 1923-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.079 BindingDB Entry DOI: 10.7270/Q2JS9R01
Inha University Curated by ChEMBL					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM38549 (2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.86E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory concentration of compound against strand transfer of HIV-1 integrase in experiment 2				J Med Chem 40: 942-51 (1997) Article DOI: 10.1021/jm960759e BindingDB Entry DOI: 10.7270/Q2NK3FPV
National Cancer Institute Curated by ChEMBL					More data for this Ligand-Target Pair
G-protein coupled receptor 35 (Homo sapiens (Human))	BDBM38549 (2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.10	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Agonist activity at human GPR35 by DMR assay				J Med Chem 56: 7084-99 (2013) Checked by Author Article DOI: 10.1021/jm4009373 BindingDB Entry DOI: 10.7270/Q2G16280
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
G-protein coupled receptor 35 (Homo sapiens (Human))	BDBM38549 (2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Agonist activity at C-terminal beta-galactosidase tagged human recombinant GPR35 expressed in CHO cells after 90 mins by beta-arrestin recruitment as...				J Med Chem 56: 7084-99 (2013) Checked by Author Article DOI: 10.1021/jm4009373 BindingDB Entry DOI: 10.7270/Q2G16280
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
DNA polymerase beta (Homo sapiens (Human))	BDBM38549 (2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of DNA polymerase beta (unknown origin)				J Med Chem 56: 5182-97 (2013) Article DOI: 10.1021/jm400587g BindingDB Entry DOI: 10.7270/Q20C4X5B
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
G-protein coupled receptor 35 (Homo sapiens (Human))	BDBM38549 (2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Agonist activity at human GPR35 expressed in CHO cells assessed as induction of beta-arrestin recruitment after 90 mins by beta-galactosidase reporte...				J Med Chem 56: 5182-97 (2013) Article DOI: 10.1021/jm400587g BindingDB Entry DOI: 10.7270/Q20C4X5B
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
G-protein coupled receptor 35 (Homo sapiens (Human))	BDBM38549 (2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	500	n/a	n/a	n/a	n/a
Dalian Institute of Chemical Physics Curated by ChEMBL					Assay Description Agonist activity at human GPR35 expressed in CHO-K1 cells after 90 mins by beta-arrestin 2 recruitment assay				J Med Chem 60: 362-372 (2017) Article DOI: 10.1021/acs.jmedchem.6b01431 BindingDB Entry DOI: 10.7270/Q2J67KC8
Dalian Institute of Chemical Physics Curated by ChEMBL					More data for this Ligand-Target Pair
mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38549 (2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	539	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
SRMLSC Curated by PubChem BioAssay					More data for this Ligand-Target Pair
G-protein coupled receptor 35 (Homo sapiens (Human))	BDBM38549 (2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
Dalian Institute of Chemical Physics Curated by ChEMBL					Assay Description Agonist activity at human GPR35 expressed in CHO-K1 cells by DMR assay				J Med Chem 60: 362-372 (2017) Article DOI: 10.1021/acs.jmedchem.6b01431 BindingDB Entry DOI: 10.7270/Q2J67KC8
Dalian Institute of Chemical Physics Curated by ChEMBL					More data for this Ligand-Target Pair
mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38549 (2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q27P8WSS
SRMLSC Curated by PubChem BioAssay					More data for this Ligand-Target Pair
mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38549 (2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	511	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q23X852V
SRMLSC Curated by PubChem BioAssay					More data for this Ligand-Target Pair