BDBM50483133 CLOBENPROBIT::Clobenprobit

SMILES: Clc1ccc(CNC(=N)SCCCCc2c[nH]cn2)cc1

InChI Key: InChIKey=PLYSQHFCSVNUMZ-UHFFFAOYSA-N

Data: 2 KI  2 EC50

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 = 50483133   

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))	BDBM50483133 (CLOBENPROBIT | Clobenprobit) Show SMILES Clc1ccc(CNC(=N)SCCCCc2c[nH]cn2)cc1 Show InChI InChI=1S/C15H19ClN4S/c16-13-6-4-12(5-7-13)9-19-15(17)21-8-2-1-3-14-10-18-11-20-14/h4-7,10-11H,1-3,8-9H2,(H2,17,19)(H,18,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells				Bioorg Med Chem Lett 20: 7191-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.041 BindingDB Entry DOI: 10.7270/Q2Q81GX5
					More data for this Ligand-Target Pair
Histamine receptor (H3 and H4) (Homo sapiens (Human))	BDBM50483133 (CLOBENPROBIT | Clobenprobit) Show SMILES Clc1ccc(CNC(=N)SCCCCc2c[nH]cn2)cc1 Show InChI InChI=1S/C15H19ClN4S/c16-13-6-4-12(5-7-13)9-19-15(17)21-8-2-1-3-14-10-18-11-20-14/h4-7,10-11H,1-3,8-9H2,(H2,17,19)(H,18,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H]-histamine from human histamine H4 receptor expressed in Sf9 cells coexpressing RGS19, Galphai2, Gbeta1gamma2				Bioorg Med Chem Lett 20: 7191-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.041 BindingDB Entry DOI: 10.7270/Q2Q81GX5
					More data for this Ligand-Target Pair
Histamine receptor (H3 and H4) (Homo sapiens (Human))	BDBM50483133 (CLOBENPROBIT | Clobenprobit) Show SMILES Clc1ccc(CNC(=N)SCCCCc2c[nH]cn2)cc1 Show InChI InChI=1S/C15H19ClN4S/c16-13-6-4-12(5-7-13)9-19-15(17)21-8-2-1-3-14-10-18-11-20-14/h4-7,10-11H,1-3,8-9H2,(H2,17,19)(H,18,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at human histamine H4 receptor expressed in human SK-N-MC cells by CRE-beta galactosidase reporter gene assay				Bioorg Med Chem Lett 20: 7191-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.041 BindingDB Entry DOI: 10.7270/Q2Q81GX5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50483133 (CLOBENPROBIT | Clobenprobit) Show SMILES Clc1ccc(CNC(=N)SCCCCc2c[nH]cn2)cc1 Show InChI InChI=1S/C15H19ClN4S/c16-13-6-4-12(5-7-13)9-19-15(17)21-8-2-1-3-14-10-18-11-20-14/h4-7,10-11H,1-3,8-9H2,(H2,17,19)(H,18,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.398	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at human histamine H3 receptor expressed in human SK-N-MC cells by CRE-beta galactosidase reporter gene assay				Bioorg Med Chem Lett 20: 7191-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.041 BindingDB Entry DOI: 10.7270/Q2Q81GX5
					More data for this Ligand-Target Pair