BDBM50217414 CHEMBL102416

SMILES: OC1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)CC1

InChI Key: InChIKey=CRGOWMIZBWIMTB-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50217414   

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 (Rattus norvegicus (rat))	BDBM50217414 (CHEMBL102416) Show SMILES OC1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)CC1 Show InChI InChI=1S/C21H24N2O2/c22-16-17-2-4-18(5-3-17)19-6-8-21(9-7-19)25-15-1-12-23-13-10-20(24)11-14-23/h2-9,20,24H,1,10-15H2	Reactome pathway KEGG UniProtKB/SwissProt 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
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity at rat cortical Histamine H3 receptor				Bioorg Med Chem Lett 12: 3077-9 (2002) BindingDB Entry DOI: 10.7270/Q2ZW1P38
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50217414 (CHEMBL102416) Show SMILES OC1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)CC1 Show InChI InChI=1S/C21H24N2O2/c22-16-17-2-4-18(5-3-17)19-6-8-21(9-7-19)25-15-1-12-23-13-10-20(24)11-14-23/h2-9,20,24H,1,10-15H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	123	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity at human cloned Histamine H3 receptor				Bioorg Med Chem Lett 12: 3077-9 (2002) BindingDB Entry DOI: 10.7270/Q2ZW1P38
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50217414 (CHEMBL102416) Show SMILES OC1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)CC1 Show InChI InChI=1S/C21H24N2O2/c22-16-17-2-4-18(5-3-17)19-6-8-21(9-7-19)25-15-1-12-23-13-10-20(24)11-14-23/h2-9,20,24H,1,10-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	575	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity of human cortical histamine H1 receptor				Bioorg Med Chem Lett 12: 3077-9 (2002) BindingDB Entry DOI: 10.7270/Q2ZW1P38
					More data for this Ligand-Target Pair
Histamine H2 receptor (Homo sapiens (Human))	BDBM50217414 (CHEMBL102416) Show SMILES OC1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)CC1 Show InChI InChI=1S/C21H24N2O2/c22-16-17-2-4-18(5-3-17)19-6-8-21(9-7-19)25-15-1-12-23-13-10-20(24)11-14-23/h2-9,20,24H,1,10-15H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity to the human cortical histamine H2 receptor				Bioorg Med Chem Lett 12: 3077-9 (2002) BindingDB Entry DOI: 10.7270/Q2ZW1P38
					More data for this Ligand-Target Pair