BDBM50495017 CHEMBL3099663

SMILES: CCC[C@H](Cc1ccc(OC)cc1)NC[C@H](O)c1cc(O)cc(O)c1

InChI Key: InChIKey=HOCMNYATHYZPNH-UZLBHIALSA-N

Data: 3 KI  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 4 hits for monomerid = 50495017   

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))	BDBM50495017 (CHEMBL3099663) Show SMILES CCC[C@H](Cc1ccc(OC)cc1)NC[C@H](O)c1cc(O)cc(O)c1 |r| Show InChI InChI=1S/C20H27NO4/c1-3-4-16(9-14-5-7-19(25-2)8-6-14)21-13-20(24)15-10-17(22)12-18(23)11-15/h5-8,10-12,16,20-24H,3-4,9,13H2,1-2H3/t16-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Lublin Curated by ChEMBL					Assay Description Displacement of [3H]-(R,R')-methoxyfenoterol from human beta2 adrenergic receptor expressed in HEK cells by liquid scintillation counting analysis				Bioorg Med Chem 22: 234-46 (2014) Article DOI: 10.1016/j.bmc.2013.11.030 BindingDB Entry DOI: 10.7270/Q2251N5F
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50495017 (CHEMBL3099663) Show SMILES CCC[C@H](Cc1ccc(OC)cc1)NC[C@H](O)c1cc(O)cc(O)c1 |r| Show InChI InChI=1S/C20H27NO4/c1-3-4-16(9-14-5-7-19(25-2)8-6-14)21-13-20(24)15-10-17(22)12-18(23)11-15/h5-8,10-12,16,20-24H,3-4,9,13H2,1-2H3/t16-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Lublin Curated by ChEMBL					Assay Description Displacement of [3H]-(R,R')-methoxyfenoterol from human beta2 adrenergic receptor expressed in HEK cells by liquid scintillation counting analysis				Bioorg Med Chem 22: 234-46 (2014) Article DOI: 10.1016/j.bmc.2013.11.030 BindingDB Entry DOI: 10.7270/Q2251N5F
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50495017 (CHEMBL3099663) Show SMILES CCC[C@H](Cc1ccc(OC)cc1)NC[C@H](O)c1cc(O)cc(O)c1 |r| Show InChI InChI=1S/C20H27NO4/c1-3-4-16(9-14-5-7-19(25-2)8-6-14)21-13-20(24)15-10-17(22)12-18(23)11-15/h5-8,10-12,16,20-24H,3-4,9,13H2,1-2H3/t16-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Lublin Curated by ChEMBL					Assay Description Displacement of [3H]-CGP-12177 from human beta2 adrenergic receptor expressed in HEK cells by liquid scintillation counting analysis				Bioorg Med Chem 22: 234-46 (2014) Article DOI: 10.1016/j.bmc.2013.11.030 BindingDB Entry DOI: 10.7270/Q2251N5F
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50495017 (CHEMBL3099663) Show SMILES CCC[C@H](Cc1ccc(OC)cc1)NC[C@H](O)c1cc(O)cc(O)c1 |r| Show InChI InChI=1S/C20H27NO4/c1-3-4-16(9-14-5-7-19(25-2)8-6-14)21-13-20(24)15-10-17(22)12-18(23)11-15/h5-8,10-12,16,20-24H,3-4,9,13H2,1-2H3/t16-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	462	n/a	n/a	n/a	n/a
Medical University of Lublin Curated by ChEMBL					Assay Description Agonist activity at human beta2 adrenergic receptor expressed in HEK293 cells assessed as stimulation of cAMP accumulation				Bioorg Med Chem 22: 234-46 (2014) Article DOI: 10.1016/j.bmc.2013.11.030 BindingDB Entry DOI: 10.7270/Q2251N5F
					More data for this Ligand-Target Pair