BDBM50002596 CHEMBL424866

SMILES: O[C@@H](CNCCNc1cccc(c1)-c1cccc(n1)C(O)=O)c1cccc(Cl)c1

InChI Key: InChIKey=CQECFJNZZPYKHL-NRFANRHFSA-N

Data: 3 EC50

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 3 hits for monomerid = 50002596   

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))	BDBM50002596 (CHEMBL424866) Show SMILES O[C@@H](CNCCNc1cccc(c1)-c1cccc(n1)C(O)=O)c1cccc(Cl)c1 Show InChI InChI=1S/C22H22ClN3O3/c23-17-6-1-5-16(12-17)21(27)14-24-10-11-25-18-7-2-4-15(13-18)19-8-3-9-20(26-19)22(28)29/h1-9,12-13,21,24-25,27H,10-11,14H2,(H,28,29)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Activity at human beta-2 adrenergic receptor expressed in CHO cells by stimulation of cAMP production				J Med Chem 49: 2758-71 (2006) Checked by Author Article DOI: 10.1021/jm0509445 BindingDB Entry DOI: 10.7270/Q2KD20D5
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50002596 (CHEMBL424866) Show SMILES O[C@@H](CNCCNc1cccc(c1)-c1cccc(n1)C(O)=O)c1cccc(Cl)c1 Show InChI InChI=1S/C22H22ClN3O3/c23-17-6-1-5-16(12-17)21(27)14-24-10-11-25-18-7-2-4-15(13-18)19-8-3-9-20(26-19)22(28)29/h1-9,12-13,21,24-25,27H,10-11,14H2,(H,28,29)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	40	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Activity at human beta-3 adrenergic receptor expressed in CHO cells by stimulation of cAMP production				J Med Chem 49: 2758-71 (2006) Checked by Author Article DOI: 10.1021/jm0509445 BindingDB Entry DOI: 10.7270/Q2KD20D5
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50002596 (CHEMBL424866) Show SMILES O[C@@H](CNCCNc1cccc(c1)-c1cccc(n1)C(O)=O)c1cccc(Cl)c1 Show InChI InChI=1S/C22H22ClN3O3/c23-17-6-1-5-16(12-17)21(27)14-24-10-11-25-18-7-2-4-15(13-18)19-8-3-9-20(26-19)22(28)29/h1-9,12-13,21,24-25,27H,10-11,14H2,(H,28,29)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Activity at human beta-1 adrenergic receptor expressed in CHO cells by stimulation of cAMP production				J Med Chem 49: 2758-71 (2006) Checked by Author Article DOI: 10.1021/jm0509445 BindingDB Entry DOI: 10.7270/Q2KD20D5
					More data for this Ligand-Target Pair