BDBM35926 3-(9,10-Dihydro-anthracen-9-yl)-propylamine::9,10-dihydroanthracene(DHA), 3a::9-(2-aminopropyl)-9,10-dihydroanthracene::CHEMBL158780

SMILES: NCCCC1c2ccccc2Cc2ccccc12

InChI Key: InChIKey=AUTKMGMMFJXIDV-UHFFFAOYSA-N

Data: 3 KI

PDB links: 2 PDB IDs contain this monomer as substructures. 2 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 3 hits for monomerid = 35926   

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))	BDBM35926 (3-(9,10-Dihydro-anthracen-9-yl)-propylamine | 9,10...) Show SMILES NCCCC1c2ccccc2Cc2ccccc12 Show InChI InChI=1S/C17H19N/c18-11-5-10-17-15-8-3-1-6-13(15)12-14-7-2-4-9-16(14)17/h1-4,6-9,17H,5,10-12,18H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	-10.1	n/a	n/a	n/a	n/a	n/a	7.4	23
Virginia Commonwealth University					Assay Description Aliquots of radioligand are dispensed into the wells of 96-well plates. Then, duplicate aliquots of the test and reference compound dilutions are add...				Bioorg Med Chem 17: 6496-504 (2009) Article DOI: 10.1016/j.bmc.2009.08.016 BindingDB Entry DOI: 10.7270/Q2QJ7FN6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM35926 (3-(9,10-Dihydro-anthracen-9-yl)-propylamine | 9,10...) Show SMILES NCCCC1c2ccccc2Cc2ccccc12 Show InChI InChI=1S/C17H19N/c18-11-5-10-17-15-8-3-1-6-13(15)12-14-7-2-4-9-16(14)17/h1-4,6-9,17H,5,10-12,18H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	32	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 5-hydroxytryptamine 2A receptor expressed NIH3T3 cells				Bioorg Med Chem Lett 11: 655-8 (2001) BindingDB Entry DOI: 10.7270/Q2H994F8
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM35926 (3-(9,10-Dihydro-anthracen-9-yl)-propylamine | 9,10...) Show SMILES NCCCC1c2ccccc2Cc2ccccc12 Show InChI InChI=1S/C17H19N/c18-11-5-10-17-15-8-3-1-6-13(15)12-14-7-2-4-9-16(14)17/h1-4,6-9,17H,5,10-12,18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	175	-9.21	n/a	n/a	n/a	n/a	n/a	n/a	25
Virginia Commonwealth University					Assay Description Aliquots of radioligand are dispensed into the wells of 96-well plates. Then, duplicate aliquots of the test and reference compound dilutions are add...				Bioorg Med Chem 17: 6496-504 (2009) Article DOI: 10.1016/j.bmc.2009.08.016 BindingDB Entry DOI: 10.7270/Q2QJ7FN6
					More data for this Ligand-Target Pair