BDBM50009383 CHEMBL3233865

SMILES: C(COCC1Oc2ccccc2OC1c1ccccc1)CN1CCC(CC1)c1nc2ccccc2o1

InChI Key: InChIKey=AGKFWTDVDBIRHM-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 = 50009383   

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))	BDBM50009383 (CHEMBL3233865) Show SMILES C(COCC1Oc2ccccc2OC1c1ccccc1)CN1CCC(CC1)c1nc2ccccc2o1 Show InChI InChI=1S/C30H32N2O4/c1-2-9-22(10-3-1)29-28(34-26-13-6-7-14-27(26)35-29)21-33-20-8-17-32-18-15-23(16-19-32)30-31-24-11-4-5-12-25(24)36-30/h1-7,9-14,23,28-29H,8,15-21H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10	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))	BDBM50009383 (CHEMBL3233865) Show SMILES C(COCC1Oc2ccccc2OC1c1ccccc1)CN1CCC(CC1)c1nc2ccccc2o1 Show InChI InChI=1S/C30H32N2O4/c1-2-9-22(10-3-1)29-28(34-26-13-6-7-14-27(26)35-29)21-33-20-8-17-32-18-15-23(16-19-32)30-31-24-11-4-5-12-25(24)36-30/h1-7,9-14,23,28-29H,8,15-21H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	51	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