BDBM50526679 CHEMBL4456301

SMILES: COc1cc(CCNC[C@H](O)COc2cccc3ccccc23)ccc1OCCCSSCCN

InChI Key: InChIKey=QJSQCJQXYAAGGS-QHCPKHFHSA-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 = 50526679   

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))	BDBM50526679 (CHEMBL4456301) Show SMILES COc1cc(CCNC[C@H](O)COc2cccc3ccccc23)ccc1OCCCSSCCN |r| Show InChI InChI=1S/C27H36N2O4S2/c1-31-27-18-21(10-11-26(27)32-15-5-16-34-35-17-13-28)12-14-29-19-23(30)20-33-25-9-4-7-22-6-2-3-8-24(22)25/h2-4,6-11,18,23,29-30H,5,12-17,19-20,28H2,1H3/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	0.0730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from human beta2 adrenoceptor expressed in CHO cell membranes				Bioorg Med Chem 27: 2959-2971 (2019) Article DOI: 10.1016/j.bmc.2019.05.034
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Mus musculus)	BDBM50526679 (CHEMBL4456301) Show SMILES COc1cc(CCNC[C@H](O)COc2cccc3ccccc23)ccc1OCCCSSCCN |r| Show InChI InChI=1S/C27H36N2O4S2/c1-31-27-18-21(10-11-26(27)32-15-5-16-34-35-17-13-28)12-14-29-19-23(30)20-33-25-9-4-7-22-6-2-3-8-24(22)25/h2-4,6-11,18,23,29-30H,5,12-17,19-20,28H2,1H3/t23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from mouse beta1 adrenoceptor expressed in HEK293T cell membranes				Bioorg Med Chem 27: 2959-2971 (2019) Article DOI: 10.1016/j.bmc.2019.05.034
					More data for this Ligand-Target Pair