BDBM50405411 CHEMBL11431

SMILES: COc1ccc(CCNCC(O)COc2ccc(cc2Cl)-c2nc(c[nH]2)-c2cccs2)cc1OC

InChI Key: InChIKey=MMKNLRVPXCJHQL-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50405411   

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 (GUINEA PIG)	BDBM50405411 (CHEMBL11431) Show SMILES COc1ccc(CCNCC(O)COc2ccc(cc2Cl)-c2nc(c[nH]2)-c2cccs2)cc1OC Show InChI InChI=1S/C26H28ClN3O4S/c1-32-23-7-5-17(12-24(23)33-2)9-10-28-14-19(31)16-34-22-8-6-18(13-20(22)27)26-29-15-21(30-26)25-4-3-11-35-25/h3-8,11-13,15,19,28,31H,9-10,14,16H2,1-2H3,(H,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-2 adrenergic receptor was measured by the inhibition of isoproterenol-induced relaxation of PGF2-alpha cont...				J Med Chem 29: 1065-80 (1986) BindingDB Entry DOI: 10.7270/Q2BP0408
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (GUINEA PIG)	BDBM50405411 (CHEMBL11431) Show SMILES COc1ccc(CCNCC(O)COc2ccc(cc2Cl)-c2nc(c[nH]2)-c2cccs2)cc1OC Show InChI InChI=1S/C26H28ClN3O4S/c1-32-23-7-5-17(12-24(23)33-2)9-10-28-14-19(31)16-34-22-8-6-18(13-20(22)27)26-29-15-21(30-26)25-4-3-11-35-25/h3-8,11-13,15,19,28,31H,9-10,14,16H2,1-2H3,(H,29,30)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 29: 1065-80 (1986) BindingDB Entry DOI: 10.7270/Q2BP0408
					More data for this Ligand-Target Pair