BDBM50361016 CHEMBL501882::US8796297, 13

SMILES: CN1CCN(CC1)c1ccnc(N)n1

InChI Key: InChIKey=XEKHYAPKOUIALX-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 = 50361016   

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))	BDBM50361016 (CHEMBL501882 | US8796297, 13) Show SMILES CN1CCN(CC1)c1ccnc(N)n1 Show InChI InChI=1S/C9H15N5/c1-13-4-6-14(7-5-13)8-2-3-11-9(10)12-8/h2-3H,4-7H2,1H3,(H2,10,11,12)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	7.41	-10.3	n/a	n/a	n/a	n/a	n/a	7.4	4
AbbVie Inc. US Patent					Assay Description The rat H3 receptor was cloned and expressed in cells, and competition binding assays carried out, according to methods previously described (see Esb...				US Patent US8796297 (2014) BindingDB Entry DOI: 10.7270/Q2ST7NH8
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50361016 (CHEMBL501882 | US8796297, 13) Show SMILES CN1CCN(CC1)c1ccnc(N)n1 Show InChI InChI=1S/C9H15N5/c1-13-4-6-14(7-5-13)8-2-3-11-9(10)12-8/h2-3H,4-7H2,1H3,(H2,10,11,12)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	13.8	-9.96	n/a	n/a	n/a	n/a	n/a	7.4	4
AbbVie Inc. US Patent					Assay Description The rat H3 receptor was cloned and expressed in cells, and competition binding assays carried out, according to methods previously described (see Esb...				US Patent US8796297 (2014) BindingDB Entry DOI: 10.7270/Q2ST7NH8
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50361016 (CHEMBL501882 | US8796297, 13) Show SMILES CN1CCN(CC1)c1ccnc(N)n1 Show InChI InChI=1S/C9H15N5/c1-13-4-6-14(7-5-13)8-2-3-11-9(10)12-8/h2-3H,4-7H2,1H3,(H2,10,11,12)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffin Discoveries BV Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human H4 receptor expressed in HEK cell membranes				Bioorg Med Chem Lett 22: 461-7 (2011) Article DOI: 10.1016/j.bmcl.2011.10.104 BindingDB Entry DOI: 10.7270/Q2D79BT2
					More data for this Ligand-Target Pair