BDBM50007477 4-(3-tert-Butylamino-2-hydroxy-propoxy)-3-fluoro-benzene-1,2-diol::CHEMBL10453

SMILES: CC(C)(C)NCC(O)COc1ccc(O)c(O)c1F

InChI Key: InChIKey=NBOURJIOPAPXKD-UHFFFAOYSA-N

Data: 1 KI  3 EC50

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 = 50007477   

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-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50007477 (4-(3-tert-Butylamino-2-hydroxy-propoxy)-3-fluoro-b...) Show SMILES CC(C)(C)NCC(O)COc1ccc(O)c(O)c1F Show InChI InChI=1S/C13H20FNO4/c1-13(2,3)15-6-8(16)7-19-10-5-4-9(17)12(18)11(10)14/h4-5,8,15-18H,6-7H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of binding of [3H]-dihydroalprenolol from beta-1 adrenergic receptor of rat cerebral cortical membranes				J Med Chem 34: 1063-8 (1991) BindingDB Entry DOI: 10.7270/Q2765D9R
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM50007477 (4-(3-tert-Butylamino-2-hydroxy-propoxy)-3-fluoro-b...) Show SMILES CC(C)(C)NCC(O)COc1ccc(O)c(O)c1F Show InChI InChI=1S/C13H20FNO4/c1-13(2,3)15-6-8(16)7-19-10-5-4-9(17)12(18)11(10)14/h4-5,8,15-18H,6-7H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	38	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Agonistic activity (beta2- adrenergic) for the percent maximal relaxation of isolated guinea pig trachea				J Med Chem 34: 1063-8 (1991) BindingDB Entry DOI: 10.7270/Q2765D9R
					More data for this Ligand-Target Pair
Adrenergic receptor beta (Rattus norvegicus (Rat))	BDBM50007477 (4-(3-tert-Butylamino-2-hydroxy-propoxy)-3-fluoro-b...) Show SMILES CC(C)(C)NCC(O)COc1ccc(O)c(O)c1F Show InChI InChI=1S/C13H20FNO4/c1-13(2,3)15-6-8(16)7-19-10-5-4-9(17)12(18)11(10)14/h4-5,8,15-18H,6-7H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	9.20	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Activity was evaluated by measuring the inhibition of isolated hog H+/K+ ATPase				J Med Chem 34: 1063-8 (1991) BindingDB Entry DOI: 10.7270/Q2765D9R
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (GUINEA PIG)	BDBM50007477 (4-(3-tert-Butylamino-2-hydroxy-propoxy)-3-fluoro-b...) Show SMILES CC(C)(C)NCC(O)COc1ccc(O)c(O)c1F Show InChI InChI=1S/C13H20FNO4/c1-13(2,3)15-6-8(16)7-19-10-5-4-9(17)12(18)11(10)14/h4-5,8,15-18H,6-7H2,1-3H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	8.60	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Agonistic activity (beta-1 adrenergic receptor) for the percent maximal increase in contraction rate of isolated guinea pig atria				J Med Chem 34: 1063-8 (1991) BindingDB Entry DOI: 10.7270/Q2765D9R
					More data for this Ligand-Target Pair