BDBM50077647 4-Hydroxy-7-(1-hydroxy-2-methylamino-ethyl)-3H-benzothiazol-2-one::4-hydroxy-7-(1-hydroxy-2-(methylamino)ethyl)benzo[d]thiazol-2(3H)-one::CHEMBL29141

SMILES: CNCC(O)c1ccc(O)c2[nH]c(=O)sc12

InChI Key: InChIKey=AWWPNKWNJLNEKN-UHFFFAOYSA-N

Data: 2 KI  2 Kd

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50077647   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50077647 (4-Hydroxy-7-(1-hydroxy-2-methylamino-ethyl)-3H-ben...) Show SMILES CNCC(O)c1ccc(O)c2[nH]c(=O)sc12 Show InChI InChI=1S/C10H12N2O3S/c1-11-4-7(14)5-2-3-6(13)8-9(5)16-10(15)12-8/h2-3,7,11,13-14H,4H2,1H3,(H,12,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	5	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 Displacement of [3H]CGP12177 from human beta2 adrenoceptor				Bioorg Med Chem Lett 20: 5302-7 (2010) Article DOI: 10.1016/j.bmcl.2010.06.136 BindingDB Entry DOI: 10.7270/Q2HD7VVM
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50077647 (4-Hydroxy-7-(1-hydroxy-2-methylamino-ethyl)-3H-ben...) Show SMILES CNCC(O)c1ccc(O)c2[nH]c(=O)sc12 Show InChI InChI=1S/C10H12N2O3S/c1-11-4-7(14)5-2-3-6(13)8-9(5)16-10(15)12-8/h2-3,7,11,13-14H,4H2,1H3,(H,12,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	61	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 Displacement of [3H]CGP12177 from human beta-1 adrenoceptor				Bioorg Med Chem Lett 20: 5302-7 (2010) Article DOI: 10.1016/j.bmcl.2010.06.136 BindingDB Entry DOI: 10.7270/Q2HD7VVM
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50077647 (4-Hydroxy-7-(1-hydroxy-2-methylamino-ethyl)-3H-ben...) Show SMILES CNCC(O)c1ccc(O)c2[nH]c(=O)sc12 Show InChI InChI=1S/C10H12N2O3S/c1-11-4-7(14)5-2-3-6(13)8-9(5)16-10(15)12-8/h2-3,7,11,13-14H,4H2,1H3,(H,12,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a
Kirin Brewery Co., Ltd. Curated by ChEMBL					Assay Description Compound was tested for its binding affinity to human Beta-2 adrenergic receptor by using the radioligand [3H]-CGP-12,177				Bioorg Med Chem Lett 9: 1361-4 (1999) BindingDB Entry DOI: 10.7270/Q2NG4PTW
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50077647 (4-Hydroxy-7-(1-hydroxy-2-methylamino-ethyl)-3H-ben...) Show SMILES CNCC(O)c1ccc(O)c2[nH]c(=O)sc12 Show InChI InChI=1S/C10H12N2O3S/c1-11-4-7(14)5-2-3-6(13)8-9(5)16-10(15)12-8/h2-3,7,11,13-14H,4H2,1H3,(H,12,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a
Kirin Brewery Co., Ltd. Curated by ChEMBL					Assay Description Compound was tested for its binding affinity to human Beta-1 adrenergic receptor by using the radioligand [3H]-CGP-12,177				Bioorg Med Chem Lett 9: 1361-4 (1999) BindingDB Entry DOI: 10.7270/Q2NG4PTW
					More data for this Ligand-Target Pair