BindingDB PrimarySearch

null

SMILES: CN([C@@H]1CCc2c(C1)c1ccccc1n2CC(O)=O)S(=O)(=O)c1ccc(F)cc1

InChI Key: InChIKey=CANCTKXGRVNXFP-OAHLLOKOSA-N

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50161745
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
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50161745 (CHEMBL179036 \| {3-[((R)-4-Fluoro-benzenesulfonyl)-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
7TM Pharma A/S Curated by ChEMBL					Assay Description Inhibition of [3H]PGD-2 binding to human chemoattractant receptor-homologous molecule expressed on Th2 cells (CRTH2)				J Med Chem 48: 897-900 (2005) Article DOI: 10.1021/jm049036i BindingDB Entry DOI: 10.7270/Q24J0DMD
7TM Pharma A/S Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50161745 (CHEMBL179036 \| {3-[((R)-4-Fluoro-benzenesulfonyl)-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
7TM Pharma A/S Curated by ChEMBL					Assay Description Inhibition of beta-arrestin translocation at human chemoattractant receptor-homologous molecule expressed on TH2 cells in BRET assay				J Med Chem 48: 897-900 (2005) Article DOI: 10.1021/jm049036i BindingDB Entry DOI: 10.7270/Q24J0DMD
7TM Pharma A/S Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50161745 (CHEMBL179036 \| {3-[((R)-4-Fluoro-benzenesulfonyl)-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
7TM Pharma A/S Curated by ChEMBL					Assay Description Inhibition of beta-arrestin translocation at human chemoattractant receptor-homologous molecule expressed on TH2 cells in BRET assay				J Med Chem 48: 897-900 (2005) Article DOI: 10.1021/jm049036i BindingDB Entry DOI: 10.7270/Q24J0DMD
7TM Pharma A/S Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50161745 (CHEMBL179036 \| {3-[((R)-4-Fluoro-benzenesulfonyl)-...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
7TM Pharma A/S Curated by ChEMBL					Assay Description Inhibition of [3H]-SQ-29,548 binding to human Thromboxane A2 receptor				J Med Chem 48: 897-900 (2005) Article DOI: 10.1021/jm049036i BindingDB Entry DOI: 10.7270/Q24J0DMD
7TM Pharma A/S Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin D2 receptor (Homo sapiens (Human))	BDBM50161745 (CHEMBL179036 \| {3-[((R)-4-Fluoro-benzenesulfonyl)-...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
7TM Pharma A/S Curated by ChEMBL					Assay Description Inhibition of PGD2-induced inositol phosphate formation at human Prostaglandin D2 receptor				J Med Chem 48: 897-900 (2005) Article DOI: 10.1021/jm049036i BindingDB Entry DOI: 10.7270/Q24J0DMD
7TM Pharma A/S Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50161745 (CHEMBL179036 \| {3-[((R)-4-Fluoro-benzenesulfonyl)-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Binding affinity to human recombinant CRTH2 receptor by cell based radioligand equilibrium competition assay				Bioorg Med Chem Lett 21: 288-93 (2010) Article DOI: 10.1016/j.bmcl.2010.11.015 BindingDB Entry DOI: 10.7270/Q2959HTH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50161745 (CHEMBL179036 \| {3-[((R)-4-Fluoro-benzenesulfonyl)-...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	1.39E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Binding affinity to thromboxane receptor				Bioorg Med Chem Lett 21: 288-93 (2010) Article DOI: 10.1016/j.bmcl.2010.11.015 BindingDB Entry DOI: 10.7270/Q2959HTH
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor (Homo sapiens (Human))	BDBM50161745 (CHEMBL179036 \| {3-[((R)-4-Fluoro-benzenesulfonyl)-...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Binding affinity to prostanoid DP1 receptor				Bioorg Med Chem Lett 21: 288-93 (2010) Article DOI: 10.1016/j.bmcl.2010.11.015 BindingDB Entry DOI: 10.7270/Q2959HTH
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50161745 (CHEMBL179036 \| {3-[((R)-4-Fluoro-benzenesulfonyl)-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Binding affinity to human recombinant CRTH2 receptor by cell based radioligand equilibrium competition assay				Bioorg Med Chem Lett 21: 288-93 (2010) Article DOI: 10.1016/j.bmcl.2010.11.015 BindingDB Entry DOI: 10.7270/Q2959HTH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin D2 receptor (Homo sapiens (Human))	BDBM50161745 (CHEMBL179036 \| {3-[((R)-4-Fluoro-benzenesulfonyl)-...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
7TM Pharma A/S Curated by ChEMBL					Assay Description Inhibition of [3H]-PGD-2 binding to human Prostaglandin D2 receptor				J Med Chem 48: 897-900 (2005) Article DOI: 10.1021/jm049036i BindingDB Entry DOI: 10.7270/Q24J0DMD
7TM Pharma A/S Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin D2 receptor (Homo sapiens (Human))	BDBM50161745 (CHEMBL179036 \| {3-[((R)-4-Fluoro-benzenesulfonyl)-...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	653	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Binding affinity to prostanoid DP1 receptor				Bioorg Med Chem Lett 21: 288-93 (2010) Article DOI: 10.1016/j.bmcl.2010.11.015 BindingDB Entry DOI: 10.7270/Q2959HTH
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50161745 (CHEMBL179036 \| {3-[((R)-4-Fluoro-benzenesulfonyl)-...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	6.85E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Binding affinity to thromboxane receptor				Bioorg Med Chem Lett 21: 288-93 (2010) Article DOI: 10.1016/j.bmcl.2010.11.015 BindingDB Entry DOI: 10.7270/Q2959HTH
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50161745 (CHEMBL179036 \| {3-[((R)-4-Fluoro-benzenesulfonyl)-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Oxagen Ltd. Curated by ChEMBL					Assay Description Inhibition of CRTH2				J Med Chem 55: 2915-31 (2012) Article DOI: 10.1021/jm2013997 BindingDB Entry DOI: 10.7270/Q2Z0398R
Oxagen Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50161745 (CHEMBL179036 \| {3-[((R)-4-Fluoro-benzenesulfonyl)-...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Oxagen Ltd. Curated by ChEMBL					Assay Description Inhibition of TP receptor				J Med Chem 55: 2915-31 (2012) Article DOI: 10.1021/jm2013997 BindingDB Entry DOI: 10.7270/Q2Z0398R
Oxagen Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50161745 (CHEMBL179036 \| {3-[((R)-4-Fluoro-benzenesulfonyl)-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Oxagen Ltd. Curated by ChEMBL					Assay Description Inhibition of CRTH2				J Med Chem 55: 2915-31 (2012) Article DOI: 10.1021/jm2013997 BindingDB Entry DOI: 10.7270/Q2Z0398R
Oxagen Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50161745 (CHEMBL179036 \| {3-[((R)-4-Fluoro-benzenesulfonyl)-...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
7TM Pharma A/S Curated by ChEMBL					Assay Description Inhibition of beta-arrestin translocation at human Thromboxane A2 receptor in BRET assay				J Med Chem 48: 897-900 (2005) Article DOI: 10.1021/jm049036i BindingDB Entry DOI: 10.7270/Q24J0DMD
7TM Pharma A/S Curated by ChEMBL					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50161745 (CHEMBL179036 \| {3-[((R)-4-Fluoro-benzenesulfonyl)-...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
7TM Pharma A/S Curated by ChEMBL					Assay Description Inhibition of beta-arrestin translocation at Thromboxane A2 receptor				J Med Chem 48: 897-900 (2005) Article DOI: 10.1021/jm049036i BindingDB Entry DOI: 10.7270/Q24J0DMD
7TM Pharma A/S Curated by ChEMBL					More data for this Ligand-Target Pair