BDBM50421717 TULOBUTEROL::Tulobuterol Hydrochloride

SMILES: CC(C)(C)NCC(O)c1ccccc1Cl

InChI Key: InChIKey=YREYLAVBNPACJM-UHFFFAOYSA-N

Data: 1 IC50  3 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 = 50421717   

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
ADRB2 (BOVINE)	BDBM50421717 (TULOBUTEROL | Tulobuterol Hydrochloride) Show SMILES CC(C)(C)NCC(O)c1ccccc1Cl Show InChI InChI=1S/C12H18ClNO/c1-12(2,3)14-8-11(15)9-6-4-5-7-10(9)13/h4-7,11,14-15H,8H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	130	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
Bile salt export pump (Homo sapiens (Human))	BDBM50421717 (TULOBUTEROL | Tulobuterol Hydrochloride) Show SMILES CC(C)(C)NCC(O)c1ccccc1Cl Show InChI InChI=1S/C12H18ClNO/c1-12(2,3)14-8-11(15)9-6-4-5-7-10(9)13/h4-7,11,14-15H,8H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Tested in vitro for dopamine(DA) neuronal uptake inhibition				Drug Metab Dispos 40: 2332-41 (2012) Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (BOVINE)	BDBM50421717 (TULOBUTEROL | Tulobuterol Hydrochloride) Show SMILES CC(C)(C)NCC(O)c1ccccc1Cl Show InChI InChI=1S/C12H18ClNO/c1-12(2,3)14-8-11(15)9-6-4-5-7-10(9)13/h4-7,11,14-15H,8H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	66	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)	BDBM50421717 (TULOBUTEROL | Tulobuterol Hydrochloride) Show SMILES CC(C)(C)NCC(O)c1ccccc1Cl Show InChI InChI=1S/C12H18ClNO/c1-12(2,3)14-8-11(15)9-6-4-5-7-10(9)13/h4-7,11,14-15H,8H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	130	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