BDBM50310099 CHEMBL597528::N-((9,10-Dihydroanthracen-9-yl)methyl)-4-phenylbutan-1-amine

SMILES: C(CCc1ccccc1)CNCC1c2ccccc2Cc2ccccc12

InChI Key: InChIKey=OUBNFHMJUXSZKL-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 = 50310099   

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 (Homo sapiens (Human))	BDBM50310099 (CHEMBL597528 | N-((9,10-Dihydroanthracen-9-yl)meth...) Show SMILES C(CCc1ccccc1)CNCC1c2ccccc2Cc2ccccc12 Show InChI InChI=1S/C25H27N/c1-2-10-20(11-3-1)12-8-9-17-26-19-25-23-15-6-4-13-21(23)18-22-14-5-7-16-24(22)25/h1-7,10-11,13-16,25-26H,8-9,12,17-19H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	365	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]Ketanserin from human cloned 5HT2A receptor				Bioorg Med Chem Lett 20: 935-8 (2010) Article DOI: 10.1016/j.bmcl.2009.12.064 BindingDB Entry DOI: 10.7270/Q2F47P8J
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50310099 (CHEMBL597528 | N-((9,10-Dihydroanthracen-9-yl)meth...) Show SMILES C(CCc1ccccc1)CNCC1c2ccccc2Cc2ccccc12 Show InChI InChI=1S/C25H27N/c1-2-10-20(11-3-1)12-8-9-17-26-19-25-23-15-6-4-13-21(23)18-22-14-5-7-16-24(22)25/h1-7,10-11,13-16,25-26H,8-9,12,17-19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	964	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]Pyrilamine from human cloned histamine H1 receptor				Bioorg Med Chem Lett 20: 935-8 (2010) Article DOI: 10.1016/j.bmcl.2009.12.064 BindingDB Entry DOI: 10.7270/Q2F47P8J
					More data for this Ligand-Target Pair