BDBM50458224 CHEMBL2297871

SMILES: O=C(C1CC1)c1ccc(OCCCN2CCCCC2)cc1

InChI Key: InChIKey=GEURKKDLGWDNKE-UHFFFAOYSA-N

Data: 3 KI  2 IC50

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 5 hits for monomerid = 50458224   

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
Histamine H3 receptor (Homo sapiens (Human))	BDBM50458224 (CHEMBL2297871) Show SMILES O=C(C1CC1)c1ccc(OCCCN2CCCCC2)cc1 Show InChI InChI=1S/C18H25NO2/c20-18(15-5-6-15)16-7-9-17(10-8-16)21-14-4-13-19-11-2-1-3-12-19/h7-10,15H,1-6,11-14H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University Duesseldorf Curated by ChEMBL					Assay Description Displacement of [125I]iodoproxyfan from human H3R expressed in CHOK1 cell membranes after 60 mins by gamma counting method				Eur J Med Chem 148: 487-497 (2018) Article DOI: 10.1016/j.ejmech.2018.02.015 BindingDB Entry DOI: 10.7270/Q2Z89G1Q
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50458224 (CHEMBL2297871) Show SMILES O=C(C1CC1)c1ccc(OCCCN2CCCCC2)cc1 Show InChI InChI=1S/C18H25NO2/c20-18(15-5-6-15)16-7-9-17(10-8-16)21-14-4-13-19-11-2-1-3-12-19/h7-10,15H,1-6,11-14H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University Curated by ChEMBL					Assay Description Binding affinity to Rattus norvegicus (rat) H3 receptor				Med Chem Res 22: 3640-3652 (2013) Article DOI: 10.1007/s00044-012-0372-8 BindingDB Entry DOI: 10.7270/Q2T156JZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50458224 (CHEMBL2297871) Show SMILES O=C(C1CC1)c1ccc(OCCCN2CCCCC2)cc1 Show InChI InChI=1S/C18H25NO2/c20-18(15-5-6-15)16-7-9-17(10-8-16)21-14-4-13-19-11-2-1-3-12-19/h7-10,15H,1-6,11-14H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University Duesseldorf Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from human H3R expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method				Eur J Med Chem 148: 487-497 (2018) Article DOI: 10.1016/j.ejmech.2018.02.015 BindingDB Entry DOI: 10.7270/Q2Z89G1Q
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50458224 (CHEMBL2297871) Show SMILES O=C(C1CC1)c1ccc(OCCCN2CCCCC2)cc1 Show InChI InChI=1S/C18H25NO2/c20-18(15-5-6-15)16-7-9-17(10-8-16)21-14-4-13-19-11-2-1-3-12-19/h7-10,15H,1-6,11-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University Duesseldorf Curated by ChEMBL					Assay Description Inhibition of human MAO-B expressed in baculovirus infected insect cell membranes using kynuramine as substrate after 15 to 20 mins by discontinuous ...				Eur J Med Chem 148: 487-497 (2018) Article DOI: 10.1016/j.ejmech.2018.02.015 BindingDB Entry DOI: 10.7270/Q2Z89G1Q
					More data for this Ligand-Target Pair
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM50458224 (CHEMBL2297871) Show SMILES O=C(C1CC1)c1ccc(OCCCN2CCCCC2)cc1 Show InChI InChI=1S/C18H25NO2/c20-18(15-5-6-15)16-7-9-17(10-8-16)21-14-4-13-19-11-2-1-3-12-19/h7-10,15H,1-6,11-14H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University Duesseldorf Curated by ChEMBL					Assay Description Inhibition of human MAO-A expressed in baculovirus infected insect cell membranes using kynuramine as substrate after 15 to 20 mins by discontinuous ...				Eur J Med Chem 148: 487-497 (2018) Article DOI: 10.1016/j.ejmech.2018.02.015 BindingDB Entry DOI: 10.7270/Q2Z89G1Q
					More data for this Ligand-Target Pair