BDBM50404981 CHEMBL174106

SMILES: COc1ccc(CCNCC(O)COc2ccc(cc2)-c2nc(C)c[nH]2)cc1OC

InChI Key: InChIKey=IUFUTNJTGYHQHZ-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 = 50404981   

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)	BDBM50404981 (CHEMBL174106) Show SMILES COc1ccc(CCNCC(O)COc2ccc(cc2)-c2nc(C)c[nH]2)cc1OC Show InChI InChI=1S/C23H29N3O4/c1-16-13-25-23(26-16)18-5-7-20(8-6-18)30-15-19(27)14-24-11-10-17-4-9-21(28-2)22(12-17)29-3/h4-9,12-13,19,24,27H,10-11,14-15H2,1-3H3,(H,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.86E+5	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro beta-2 adrenergic receptor activity was determined by measuring inhibition of the isoproterenol induced relaxation in isolated guinea pig tr...				J Med Chem 26: 950-7 (1983) BindingDB Entry DOI: 10.7270/Q2GH9K4C
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (GUINEA PIG)	BDBM50404981 (CHEMBL174106) Show SMILES COc1ccc(CCNCC(O)COc2ccc(cc2)-c2nc(C)c[nH]2)cc1OC Show InChI InChI=1S/C23H29N3O4/c1-16-13-25-23(26-16)18-5-7-20(8-6-18)30-15-19(27)14-24-11-10-17-4-9-21(28-2)22(12-17)29-3/h4-9,12-13,19,24,27H,10-11,14-15H2,1-3H3,(H,25,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...				J Med Chem 26: 950-7 (1983) BindingDB Entry DOI: 10.7270/Q2GH9K4C
					More data for this Ligand-Target Pair