BDBM50050172 3-Iodo-4-methyl-benzoic acid 3-(1H-imidazol-4-yl)-propyl ester::CHEMBL20211

SMILES: Cc1ccc(cc1I)C(=O)OCCCc1cnc[nH]1

InChI Key: InChIKey=XKMBMTGLECYSDL-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 = 50050172   

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))	BDBM50050172 (3-Iodo-4-methyl-benzoic acid 3-(1H-imidazol-4-yl)-...) Show SMILES Cc1ccc(cc1I)C(=O)OCCCc1cnc[nH]1 Show InChI InChI=1S/C14H15IN2O2/c1-10-4-5-11(7-13(10)15)14(18)19-6-2-3-12-8-16-9-17-12/h4-5,7-9H,2-3,6H2,1H3,(H,16,17)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description Binding affinity towards Histamine H3 receptor on synaptosomes from rat cerebral cortex				J Med Chem 39: 1220-6 (1996) Article DOI: 10.1021/jm9504767 BindingDB Entry DOI: 10.7270/Q28K7855
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50050172 (3-Iodo-4-methyl-benzoic acid 3-(1H-imidazol-4-yl)-...) Show SMILES Cc1ccc(cc1I)C(=O)OCCCc1cnc[nH]1 Show InChI InChI=1S/C14H15IN2O2/c1-10-4-5-11(7-13(10)15)14(18)19-6-2-3-12-8-16-9-17-12/h4-5,7-9H,2-3,6H2,1H3,(H,16,17)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro antagonistic activity tested against Histamine H3 receptor on synaptosomes from rat cerebral cortex				J Med Chem 39: 1220-6 (1996) Article DOI: 10.1021/jm9504767 BindingDB Entry DOI: 10.7270/Q28K7855
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50050172 (3-Iodo-4-methyl-benzoic acid 3-(1H-imidazol-4-yl)-...) Show SMILES Cc1ccc(cc1I)C(=O)OCCCc1cnc[nH]1 Show InChI InChI=1S/C14H15IN2O2/c1-10-4-5-11(7-13(10)15)14(18)19-6-2-3-12-8-16-9-17-12/h4-5,7-9H,2-3,6H2,1H3,(H,16,17)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro antagonistic activity tested against Histamine H3 receptor on synaptosomes from rat cerebral cortex				J Med Chem 39: 1220-6 (1996) Article DOI: 10.1021/jm9504767 BindingDB Entry DOI: 10.7270/Q28K7855
					More data for this Ligand-Target Pair