BDBM27958 1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethan-1-ol::Clenbuterol::Planipart

SMILES: CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1

InChI Key: InChIKey=STJMRWALKKWQGH-UHFFFAOYSA-N

Data: 1 KI  1 IC50  4 Kd  1 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 5 hits for monomerid = 27958   

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))	BDBM27958 (1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)...) Show SMILES CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1 Show InChI InChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	570	-8.43	1.30E+3	n/a	6.20	n/a	n/a	7.4	22
Intervet Innovation GmbH					Assay Description In the binding assays, the results were expressed as percent inhibition of the control radioligand specific binding. The IC50 values (concentration c...				J Med Chem 52: 1773-7 (2009) Article DOI: 10.1021/jm801211c BindingDB Entry DOI: 10.7270/Q2H993HR
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM27958 (1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)...) Show SMILES CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1 Show InChI InChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Binding affinity to beta-2 adrenergic receptor (unknown origin) at 1 to 10000 nM				Bioorg Med Chem Lett 23: 5376-81 (2013) Article DOI: 10.1016/j.bmcl.2013.07.052 BindingDB Entry DOI: 10.7270/Q2F76GHV
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (BOVINE)	BDBM27958 (1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)...) Show SMILES CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1 Show InChI InChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]dihydroalprenolol (DHA)				J Med Chem 28: 1328-34 (1985) BindingDB Entry DOI: 10.7270/Q2HX1DZG
					More data for this Ligand-Target Pair
ADRB2 (BOVINE)	BDBM27958 (1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)...) Show SMILES CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1 Show InChI InChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Apparent binding affinity constant to beta-2 adrenergic receptor determined using [3H]DHA				J Med Chem 29: 549-54 (1986) BindingDB Entry DOI: 10.7270/Q2PC33WN
					More data for this Ligand-Target Pair
ADRB2 (BOVINE)	BDBM27958 (1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)...) Show SMILES CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1 Show InChI InChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]dihydroalprenolol (DHA)				J Med Chem 28: 1328-34 (1985) BindingDB Entry DOI: 10.7270/Q2HX1DZG
					More data for this Ligand-Target Pair