BDBM50525105 CHEMBL4436343

SMILES: COc1ccccc1OCCNCCc1cccc2[nH]c3ccccc3c12

InChI Key: InChIKey=MJNGBHBPAWZUCT-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 = 50525105   

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))	BDBM50525105 (CHEMBL4436343) Show SMILES COc1ccccc1OCCNCCc1cccc2[nH]c3ccccc3c12 Show InChI InChI=1S/C23H24N2O2/c1-26-21-11-4-5-12-22(21)27-16-15-24-14-13-17-7-6-10-20-23(17)18-8-2-3-9-19(18)25-20/h2-12,24-25H,13-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	26	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)	BDBM50525105 (CHEMBL4436343) Show SMILES COc1ccccc1OCCNCCc1cccc2[nH]c3ccccc3c12 Show InChI InChI=1S/C23H24N2O2/c1-26-21-11-4-5-12-22(21)27-16-15-24-14-13-17-7-6-10-20-23(17)18-8-2-3-9-19(18)25-20/h2-12,24-25H,13-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	330	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