BindingDB PrimarySearch

BDBM50128690 4-Hydroxy-7-{2-[2-(3-phenethyloxy-propane-1-sulfonyl)-ethylamino]-ethyl}-3H-benzothiazol-2-one::CHEMBL82663::SB-07499

SMILES: Oc1ccc(CCNCCS(=O)(=O)CCCOCCc2ccccc2)c2sc(=O)[nH]c12

InChI Key: InChIKey=DBCKRBGYGMVSTI-UHFFFAOYSA-N

Data: 2 KI 5 IC50 3 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50128690
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
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50128690 (4-Hydroxy-7-{2-[2-(3-phenethyloxy-propane-1-sulfon...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Binding affinity to human beta2-adrenoceptor by radioligand binding assay				Bioorg Med Chem Lett 22: 6280-5 (2012) Article DOI: 10.1016/j.bmcl.2012.07.096 BindingDB Entry DOI: 10.7270/Q2G73G09
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50128690 (4-Hydroxy-7-{2-[2-(3-phenethyloxy-propane-1-sulfon...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.92E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Binding affinity to human beta1-adrenoceptor by radioligand binding assay				Bioorg Med Chem Lett 22: 6280-5 (2012) Article DOI: 10.1016/j.bmcl.2012.07.096 BindingDB Entry DOI: 10.7270/Q2G73G09
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50128690 (4-Hydroxy-7-{2-[2-(3-phenethyloxy-propane-1-sulfon...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description In vitro inhibitory activity was determined against human Phosphodiesterase 4 isoform using a construct representing the common region of spliced var...				J Med Chem 46: 2413-26 (2003) Article DOI: 10.1021/jm0204542 BindingDB Entry DOI: 10.7270/Q24X5756
					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50128690 (4-Hydroxy-7-{2-[2-(3-phenethyloxy-propane-1-sulfon...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro displacement of [3H]ICS-205-930 from 5-hydroxytryptamine 3 receptor in cultured NG-108-15 rat glioma cells				Drug Metab Dispos 40: 2332-41 (2012) Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50128690 (4-Hydroxy-7-{2-[2-(3-phenethyloxy-propane-1-sulfon...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to dopamine 2 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50128690 (4-Hydroxy-7-{2-[2-(3-phenethyloxy-propane-1-sulfon...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to adrenergic beta1 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50128690 (4-Hydroxy-7-{2-[2-(3-phenethyloxy-propane-1-sulfon...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	4.5	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonist activity at human dopamine D2 receptor expressed in CHO cells assessed as increase in GTPgamma35S binding by scintillation proximity assay				Bioorg Med Chem Lett 22: 6280-5 (2012) Article DOI: 10.1016/j.bmcl.2012.07.096 BindingDB Entry DOI: 10.7270/Q2G73G09
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50128690 (4-Hydroxy-7-{2-[2-(3-phenethyloxy-propane-1-sulfon...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.631	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at human beta2 adrenoceptor expressed in H292 cells assessed as increase in cAMP accumulation after 60 mins by spectrophotometry				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50128690 (4-Hydroxy-7-{2-[2-(3-phenethyloxy-propane-1-sulfon...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.631	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta2 receptor expressed in H292 cells assessed as stimulation of cAMP accumulation after 60 mins				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50128690 (4-Hydroxy-7-{2-[2-(3-phenethyloxy-propane-1-sulfon...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to beta1 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair