BDBM50451842 CHEMBL2113339

SMILES: O=C1C2CCCCN2C(=O)N1CN1CCN(CC1)c1cccc2OCCOCc12

InChI Key: InChIKey=SMXXLLVTKPEKMV-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 = 50451842   

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
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50451842 (CHEMBL2113339) Show SMILES O=C1C2CCCCN2C(=O)N1CN1CCN(CC1)c1cccc2OCCOCc12 Show InChI InChI=1S/C21H28N4O4/c26-20-18-4-1-2-7-24(18)21(27)25(20)15-22-8-10-23(11-9-22)17-5-3-6-19-16(17)14-28-12-13-29-19/h3,5-6,18H,1-2,4,7-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense Curated by ChEMBL					Assay Description Binding affinity of the compound towards 5-HT 1A receptor in rat cerebral cortex membranes using [3H]-8-OH-DPAT as radioligand				Bioorg Med Chem Lett 13: 1429-32 (2003) BindingDB Entry DOI: 10.7270/Q2BV7FZX
					More data for this Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50451842 (CHEMBL2113339) Show SMILES O=C1C2CCCCN2C(=O)N1CN1CCN(CC1)c1cccc2OCCOCc12 Show InChI InChI=1S/C21H28N4O4/c26-20-18-4-1-2-7-24(18)21(27)25(20)15-22-8-10-23(11-9-22)17-5-3-6-19-16(17)14-28-12-13-29-19/h3,5-6,18H,1-2,4,7-15H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense Curated by ChEMBL					Assay Description Binding affinity towards Alpha-1 adrenergic receptor in rat cerebral cortex membranes using [3H]prazosin as radioligand				Bioorg Med Chem Lett 13: 1429-32 (2003) BindingDB Entry DOI: 10.7270/Q2BV7FZX
					More data for this Ligand-Target Pair