BDBM50489337 CHEMBL2311754

SMILES: Cl.COc1ccccc1N1CCN(CCCOc2cccc3c2oc2ccccc2c3=O)CC1

InChI Key: InChIKey=PQZOLWNITMMDKQ-UHFFFAOYSA-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 = 50489337   

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
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50489337 (CHEMBL2311754) Show SMILES Cl.COc1ccccc1N1CCN(CCCOc2cccc3c2oc2ccccc2c3=O)CC1 Show InChI InChI=1S/C27H28N2O4/c1-31-24-12-5-3-10-22(24)29-17-15-28(16-18-29)14-7-19-32-25-13-6-9-21-26(30)20-8-2-4-11-23(20)33-27(21)25/h2-6,8-13H,7,14-19H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]-prazosin from alpha1-adrenergic receptor in rat cerebral cortex by liquid scintillation counting				Bioorg Med Chem 21: 514-22 (2013) Article DOI: 10.1016/j.bmc.2012.11.014 BindingDB Entry DOI: 10.7270/Q2P27200
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50489337 (CHEMBL2311754) Show SMILES Cl.COc1ccccc1N1CCN(CCCOc2cccc3c2oc2ccccc2c3=O)CC1 Show InChI InChI=1S/C27H28N2O4/c1-31-24-12-5-3-10-22(24)29-17-15-28(16-18-29)14-7-19-32-25-13-6-9-21-26(30)20-8-2-4-11-23(20)33-27(21)25/h2-6,8-13H,7,14-19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	695	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from alpha2-adrenergic receptor in rat cerebral cortex by liquid scintillation counting				Bioorg Med Chem 21: 514-22 (2013) Article DOI: 10.1016/j.bmc.2012.11.014 BindingDB Entry DOI: 10.7270/Q2P27200
					More data for this Ligand-Target Pair