BDBM50139380 4-{2-[2-((S)-2-Hydroxymethyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-yl}-benzonitrile::CHEMBL160113

SMILES: OC[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C#N

InChI Key: InChIKey=JFCPJZQAWZEYPU-FQEVSTJZSA-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 = 50139380   

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))	BDBM50139380 (4-{2-[2-((S)-2-Hydroxymethyl-pyrrolidin-1-yl)-ethy...) Show SMILES OC[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C#N Show InChI InChI=1S/C22H22N2O2/c23-14-16-3-5-17(6-4-16)18-7-8-22-19(12-18)13-21(26-22)9-11-24-10-1-2-20(24)15-25/h3-8,12-13,20,25H,1-2,9-11,15H2/t20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding potency was determined by displacement of [3H]-N-alpha-methyl histamine from cloned human histamine H3 receptor expressed in C6 cells				Bioorg Med Chem Lett 14: 689-93 (2004) BindingDB Entry DOI: 10.7270/Q20C4V5H
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50139380 (4-{2-[2-((S)-2-Hydroxymethyl-pyrrolidin-1-yl)-ethy...) Show SMILES OC[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C#N Show InChI InChI=1S/C22H22N2O2/c23-14-16-3-5-17(6-4-16)18-7-8-22-19(12-18)13-21(26-22)9-11-24-10-1-2-20(24)15-25/h3-8,12-13,20,25H,1-2,9-11,15H2/t20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding potency was determined by displacement of [3H]N-alpha-methyl histamine from cloned human histamine H3 receptor expressed in C6 cells				Bioorg Med Chem Lett 14: 689-93 (2004) BindingDB Entry DOI: 10.7270/Q20C4V5H
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50139380 (4-{2-[2-((S)-2-Hydroxymethyl-pyrrolidin-1-yl)-ethy...) Show SMILES OC[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C#N Show InChI InChI=1S/C22H22N2O2/c23-14-16-3-5-17(6-4-16)18-7-8-22-19(12-18)13-21(26-22)9-11-24-10-1-2-20(24)15-25/h3-8,12-13,20,25H,1-2,9-11,15H2/t20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding potency was determined by displacement of [3H]N-alpha-methyl histamine from histamine H3 receptor of rat cortical membranes				Bioorg Med Chem Lett 14: 689-93 (2004) BindingDB Entry DOI: 10.7270/Q20C4V5H
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50139380 (4-{2-[2-((S)-2-Hydroxymethyl-pyrrolidin-1-yl)-ethy...) Show SMILES OC[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C#N Show InChI InChI=1S/C22H22N2O2/c23-14-16-3-5-17(6-4-16)18-7-8-22-19(12-18)13-21(26-22)9-11-24-10-1-2-20(24)15-25/h3-8,12-13,20,25H,1-2,9-11,15H2/t20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding potency was determined by displacement of [3H]-N-alpha-methyl histamine from histamine H3 receptor of rat cortical membranes				Bioorg Med Chem Lett 14: 689-93 (2004) BindingDB Entry DOI: 10.7270/Q20C4V5H
					More data for this Ligand-Target Pair