null

SMILES: OC(CNc1nc2ccccc2[nH]1)CON=C(C1CC1)C1CC1

InChI Key: InChIKey=ZQIPEWCLUZKOGR-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50064217   

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 (Canis familiaris)	BDBM50064217 (CHEMBL43850 | Dicyclopropyl-methanone O-[3-(1H-ben...) Show SMILES OC(CNc1nc2ccccc2[nH]1)CON=C(C1CC1)C1CC1 Show InChI InChI=1S/C17H22N4O2/c22-13(10-23-21-16(11-5-6-11)12-7-8-12)9-18-17-19-14-3-1-2-4-15(14)20-17/h1-4,11-13,22H,5-10H2,(H2,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Grenoble Curated by ChEMBL					Assay Description Inhibition of beta-2 adrenergic receptor isolated from rat lung homogenates				J Med Chem 41: 1613-8 (1998) Article DOI: 10.1021/jm970338c BindingDB Entry DOI: 10.7270/Q2416W5G
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50064217 (CHEMBL43850 | Dicyclopropyl-methanone O-[3-(1H-ben...) Show SMILES OC(CNc1nc2ccccc2[nH]1)CON=C(C1CC1)C1CC1 Show InChI InChI=1S/C17H22N4O2/c22-13(10-23-21-16(11-5-6-11)12-7-8-12)9-18-17-19-14-3-1-2-4-15(14)20-17/h1-4,11-13,22H,5-10H2,(H2,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a
University of Grenoble Curated by ChEMBL					Assay Description Beta-1 adrenergic receptor-Antagonism in isolated rat heart ventricle. ( for S-enantiomer)				J Med Chem 41: 1613-8 (1998) Article DOI: 10.1021/jm970338c BindingDB Entry DOI: 10.7270/Q2416W5G
					More data for this Ligand-Target Pair