BDBM50259250 CHEMBL4062122

SMILES: CC1CCCN(Cc2ccc(COc3ccc(cc3)C(C)=O)cc2)C1

InChI Key: InChIKey=VIJXBNYOIBJHGJ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50259250   

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))	BDBM50259250 (CHEMBL4062122) Show SMILES CC1CCCN(Cc2ccc(COc3ccc(cc3)C(C)=O)cc2)C1 Show InChI InChI=1S/C22H27NO2/c1-17-4-3-13-23(14-17)15-19-5-7-20(8-6-19)16-25-22-11-9-21(10-12-22)18(2)24/h5-12,17H,3-4,13-16H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Antagonist activity at H3 receptor (unknown origin)				Eur J Med Chem 125: 565-572 (2017) Article DOI: 10.1016/j.ejmech.2016.09.074 BindingDB Entry DOI: 10.7270/Q20C4Z66
					More data for this Ligand-Target Pair
Histamine receptor (H3 and H4) (Homo sapiens (Human))	BDBM50259250 (CHEMBL4062122) Show SMILES CC1CCCN(Cc2ccc(COc3ccc(cc3)C(C)=O)cc2)C1 Show InChI InChI=1S/C22H27NO2/c1-17-4-3-13-23(14-17)15-19-5-7-20(8-6-19)16-25-22-11-9-21(10-12-22)18(2)24/h5-12,17H,3-4,13-16H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.64E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Antagonist activity at human H4 receptor expressed in CHO cells co-expressing Galphai2 assessed as inhibition of imetit-induced GTPgamma[35S] binding...				Eur J Med Chem 125: 565-572 (2017) Article DOI: 10.1016/j.ejmech.2016.09.074 BindingDB Entry DOI: 10.7270/Q20C4Z66
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50259250 (CHEMBL4062122) Show SMILES CC1CCCN(Cc2ccc(COc3ccc(cc3)C(C)=O)cc2)C1 Show InChI InChI=1S/C22H27NO2/c1-17-4-3-13-23(14-17)15-19-5-7-20(8-6-19)16-25-22-11-9-21(10-12-22)18(2)24/h5-12,17H,3-4,13-16H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.64E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Antagonist activity at H4 receptor (unknown origin)				Eur J Med Chem 125: 565-572 (2017) Article DOI: 10.1016/j.ejmech.2016.09.074 BindingDB Entry DOI: 10.7270/Q20C4Z66
					More data for this Ligand-Target Pair