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SMILES: NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1

InChI Key: InChIKey=UCAIEVHKDLMIFL-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 54 hits for monomerid = 22541   

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))	BDBM22541 (Clobenpropit | N''-[(4-chlorophenyl)methyl]{[3-(1H...) Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1 |w:11.12| Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Athersys Inc. Curated by ChEMBL					Assay Description Antagonist activity against human histamine H3 receptor expressed in human HT1080 cells assessed as inhibition of (R)-alpha-methylhistamine-induced i...				Bioorg Med Chem Lett 20: 6246-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.099 BindingDB Entry DOI: 10.7270/Q2DF6RGG
					More data for this Ligand-Target Pair
Histamine H3 receptor (Mus musculus)	BDBM22541 (Clobenpropit | N''-[(4-chlorophenyl)methyl]{[3-(1H...) Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1 |w:11.12| Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Athersys Inc. Curated by ChEMBL					Assay Description Antagonist activity against mouse histamine H3 receptor expressed in human HT1080 cells assessed as inhibition of (R)-alpha-methylhistamine-induced i...				Bioorg Med Chem Lett 20: 6246-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.099 BindingDB Entry DOI: 10.7270/Q2DF6RGG
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM22541 (Clobenpropit | N''-[(4-chlorophenyl)methyl]{[3-(1H...) Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1 |w:11.12| Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	0.158	n/a	n/a	n/a	n/a	n/a
De Novo Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine from histamine H3 receptors in homogenates of rat cerebral cortex				J Med Chem 44: 1666-74 (2001) BindingDB Entry DOI: 10.7270/Q2WH2QP8
					More data for this Ligand-Target Pair
Histamine H3 receptor (Mus musculus)	BDBM22541 (Clobenpropit | N''-[(4-chlorophenyl)methyl]{[3-(1H...) Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1 |w:11.12| Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.70	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inverse agonist activity at mouse histamine H3 receptor overexpressed in HEK293 cells by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 19: 4075-8 (2009) Article DOI: 10.1016/j.bmcl.2009.06.025 BindingDB Entry DOI: 10.7270/Q2GQ6XSZ
					More data for this Ligand-Target Pair