BDBM50525093 CHEMBL4437939

SMILES: COc1cc(CCNCCCOc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1

InChI Key: InChIKey=SWUGYIHIFOSBHW-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 50525093   

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))	BDBM50525093 (CHEMBL4437939) Show SMILES COc1cc(CCNCCCOc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 Show InChI InChI=1S/C27H33NO5/c1-31-27-19-22(10-13-26(27)33-17-5-9-21-7-3-2-4-8-21)14-16-28-15-6-18-32-23-11-12-24(29)25(30)20-23/h2-4,7-8,10-13,19-20,28-30H,5-6,9,14-18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg (FAU) Curated by ChEMBL					Assay Description Displacement of [3H]-CGP-12177 from human beta2-adrenergic receptor expressed in CHO cells after 60 mins by radioligand competition binding assay				J Med Chem 62: 5111-5131 (2019) Article DOI: 10.1021/acs.jmedchem.9b00349
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Mus musculus)	BDBM50525093 (CHEMBL4437939) Show SMILES COc1cc(CCNCCCOc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 Show InChI InChI=1S/C27H33NO5/c1-31-27-19-22(10-13-26(27)33-17-5-9-21-7-3-2-4-8-21)14-16-28-15-6-18-32-23-11-12-24(29)25(30)20-23/h2-4,7-8,10-13,19-20,28-30H,5-6,9,14-18H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg (FAU) Curated by ChEMBL					Assay Description Displacement of [3H]-CGP-12177 from murine beta1-adrenergic receptor expressed in HEK293T cells after 60 mins by radioligand competition binding assa...				J Med Chem 62: 5111-5131 (2019) Article DOI: 10.1021/acs.jmedchem.9b00349
					More data for this Ligand-Target Pair