BDBM50009381 CHEMBL3233863

SMILES: CC1Oc2ccccc2OC1COCCCN1CCC(CC1)c1nc2ccccc2o1

InChI Key: InChIKey=PNGIUPKSHPIGPW-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 = 50009381   

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 2A (Rattus norvegicus (rat))	BDBM50009381 (CHEMBL3233863) Show SMILES CC1Oc2ccccc2OC1COCCCN1CCC(CC1)c1nc2ccccc2o1 Show InChI InChI=1S/C25H30N2O4/c1-18-24(30-23-10-5-4-9-22(23)29-18)17-28-16-6-13-27-14-11-19(12-15-27)25-26-20-7-2-3-8-21(20)31-25/h2-5,7-10,18-19,24H,6,11-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]-ketanserin from rat cerebral cortex 5-HT2A receptor after 30 mins by liquid scintillation counting				Bioorg Med Chem Lett 24: 1766-70 (2014) Article DOI: 10.1016/j.bmcl.2014.02.031 BindingDB Entry DOI: 10.7270/Q2JH3NQ5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50009381 (CHEMBL3233863) Show SMILES CC1Oc2ccccc2OC1COCCCN1CCC(CC1)c1nc2ccccc2o1 Show InChI InChI=1S/C25H30N2O4/c1-18-24(30-23-10-5-4-9-22(23)29-18)17-28-16-6-13-27-14-11-19(12-15-27)25-26-20-7-2-3-8-21(20)31-25/h2-5,7-10,18-19,24H,6,11-17H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	152	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from rat cerebral cortex 5-HT1A receptor after 30 mins by liquid scintillation counting				Bioorg Med Chem Lett 24: 1766-70 (2014) Article DOI: 10.1016/j.bmcl.2014.02.031 BindingDB Entry DOI: 10.7270/Q2JH3NQ5
					More data for this Ligand-Target Pair