BDBM50170118 CHEMBL3804906

SMILES: CN\C(NC[C@H]1CC[C@@H](C1)c1c[nH]cn1)=N/C#N

InChI Key: InChIKey=WYMMYOFAUJTQKL-UWVGGRQHSA-N

Data: 7 KI  6 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 13 hits for monomerid = 50170118   

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 H4 receptor (Homo sapiens (Human))	BDBM50170118 (CHEMBL3804906) Show SMILES CN\C(NC[C@H]1CC[C@@H](C1)c1c[nH]cn1)=N/C#N |r| Show InChI InChI=1S/C12H18N6/c1-14-12(17-7-13)16-5-9-2-3-10(4-9)11-6-15-8-18-11/h6,8-10H,2-5H2,1H3,(H,15,18)(H2,14,16,17)/t9-,10-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	98	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]UR-PI294 from human histamine H4 receptor expressed in sf9 cell membrane co-expressing mammalian Galphai2 and Gbeta1gamma2 incuba...				J Med Chem 59: 3452-70 (2016) BindingDB Entry DOI: 10.7270/Q23T9K42
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50170118 (CHEMBL3804906) Show SMILES CN\C(NC[C@H]1CC[C@@H](C1)c1c[nH]cn1)=N/C#N |r| Show InChI InChI=1S/C12H18N6/c1-14-12(17-7-13)16-5-9-2-3-10(4-9)11-6-15-8-18-11/h6,8-10H,2-5H2,1H3,(H,15,18)(H2,14,16,17)/t9-,10-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	240	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]UR-PI294 from human histamine H4 receptor expressed in sf9 cell membrane co-expressing mammalian Galphai2 and Gbeta1gamma2 incuba...				J Med Chem 59: 3452-70 (2016) BindingDB Entry DOI: 10.7270/Q23T9K42
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50170118 (CHEMBL3804906) Show SMILES CN\C(NC[C@H]1CC[C@@H](C1)c1c[nH]cn1)=N/C#N |r| Show InChI InChI=1S/C12H18N6/c1-14-12(17-7-13)16-5-9-2-3-10(4-9)11-6-15-8-18-11/h6,8-10H,2-5H2,1H3,(H,15,18)(H2,14,16,17)/t9-,10-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	830	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]N-alpha-methylhistamine from human histamine H3 receptor expressed in sf9 cell membrane co-expressing mammalian Galphai2 and Gbet...				J Med Chem 59: 3452-70 (2016) BindingDB Entry DOI: 10.7270/Q23T9K42
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50170118 (CHEMBL3804906) Show SMILES CN\C(NC[C@H]1CC[C@@H](C1)c1c[nH]cn1)=N/C#N |r| Show InChI InChI=1S/C12H18N6/c1-14-12(17-7-13)16-5-9-2-3-10(4-9)11-6-15-8-18-11/h6,8-10H,2-5H2,1H3,(H,15,18)(H2,14,16,17)/t9-,10-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	958	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]N-alpha-methylhistamine from human histamine H3 receptor expressed in sf9 cell membrane co-expressing mammalian Galphai2 and Gbet...				J Med Chem 59: 3452-70 (2016) BindingDB Entry DOI: 10.7270/Q23T9K42
					More data for this Ligand-Target Pair
Histamine H2 receptor (Homo sapiens (Human))	BDBM50170118 (CHEMBL3804906) Show SMILES CN\C(NC[C@H]1CC[C@@H](C1)c1c[nH]cn1)=N/C#N |r| Show InChI InChI=1S/C12H18N6/c1-14-12(17-7-13)16-5-9-2-3-10(4-9)11-6-15-8-18-11/h6,8-10H,2-5H2,1H3,(H,15,18)(H2,14,16,17)/t9-,10-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	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]tiotidine from human histamine H2 receptor expressed in sf9 cell membrane co-expressing Gsalphas incubated for 60 mins by liquid ...				J Med Chem 59: 3452-70 (2016) BindingDB Entry DOI: 10.7270/Q23T9K42
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50170118 (CHEMBL3804906) Show SMILES CN\C(NC[C@H]1CC[C@@H](C1)c1c[nH]cn1)=N/C#N |r| Show InChI InChI=1S/C12H18N6/c1-14-12(17-7-13)16-5-9-2-3-10(4-9)11-6-15-8-18-11/h6,8-10H,2-5H2,1H3,(H,15,18)(H2,14,16,17)/t9-,10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	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]mepyramine from human histamine H1 receptor expressed in sf9 cell membrane co-expressing RGS4 incubated for 60 mins by liquid sci...				J Med Chem 59: 3452-70 (2016) BindingDB Entry DOI: 10.7270/Q23T9K42
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50170118 (CHEMBL3804906) Show SMILES CN\C(NC[C@H]1CC[C@@H](C1)c1c[nH]cn1)=N/C#N |r| Show InChI InChI=1S/C12H18N6/c1-14-12(17-7-13)16-5-9-2-3-10(4-9)11-6-15-8-18-11/h6,8-10H,2-5H2,1H3,(H,15,18)(H2,14,16,17)/t9-,10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	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]mepyramine from human histamine H1 receptor expressed in sf9 cell membrane co-expressing RGS4 incubated for 60 mins by liquid sci...				J Med Chem 59: 3452-70 (2016) BindingDB Entry DOI: 10.7270/Q23T9K42
					More data for this Ligand-Target Pair
Histamine H4 Receptor (Mus musculus (mouse))	BDBM50170118 (CHEMBL3804906) Show SMILES CN\C(NC[C@H]1CC[C@@H](C1)c1c[nH]cn1)=N/C#N |r| Show InChI InChI=1S/C12H18N6/c1-14-12(17-7-13)16-5-9-2-3-10(4-9)11-6-15-8-18-11/h6,8-10H,2-5H2,1H3,(H,15,18)(H2,14,16,17)/t9-,10-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	538	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at mouse SF-His6-tagged histamine H4 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated response incu...				J Med Chem 59: 3452-70 (2016) BindingDB Entry DOI: 10.7270/Q23T9K42
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50170118 (CHEMBL3804906) Show SMILES CN\C(NC[C@H]1CC[C@@H](C1)c1c[nH]cn1)=N/C#N |r| Show InChI InChI=1S/C12H18N6/c1-14-12(17-7-13)16-5-9-2-3-10(4-9)11-6-15-8-18-11/h6,8-10H,2-5H2,1H3,(H,15,18)(H2,14,16,17)/t9-,10-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	63	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at human SF-His6-tagged histamine H4 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated response incu...				J Med Chem 59: 3452-70 (2016) BindingDB Entry DOI: 10.7270/Q23T9K42
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50170118 (CHEMBL3804906) Show SMILES CN\C(NC[C@H]1CC[C@@H](C1)c1c[nH]cn1)=N/C#N |r| Show InChI InChI=1S/C12H18N6/c1-14-12(17-7-13)16-5-9-2-3-10(4-9)11-6-15-8-18-11/h6,8-10H,2-5H2,1H3,(H,15,18)(H2,14,16,17)/t9-,10-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	370	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 sf9 cell membrane co-expressing mammalian Galphai2 and Gbeta1gamma2 incubated for 90 min...				J Med Chem 59: 3452-70 (2016) BindingDB Entry DOI: 10.7270/Q23T9K42
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50170118 (CHEMBL3804906) Show SMILES CN\C(NC[C@H]1CC[C@@H](C1)c1c[nH]cn1)=N/C#N |r| Show InChI InChI=1S/C12H18N6/c1-14-12(17-7-13)16-5-9-2-3-10(4-9)11-6-15-8-18-11/h6,8-10H,2-5H2,1H3,(H,15,18)(H2,14,16,17)/t9-,10-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	100	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 sf9 cell membrane co-expressing mammalian Galphai2 and Gbeta1gamma2 incubated for 90 min...				J Med Chem 59: 3452-70 (2016) BindingDB Entry DOI: 10.7270/Q23T9K42
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50170118 (CHEMBL3804906) Show SMILES CN\C(NC[C@H]1CC[C@@H](C1)c1c[nH]cn1)=N/C#N |r| Show InChI InChI=1S/C12H18N6/c1-14-12(17-7-13)16-5-9-2-3-10(4-9)11-6-15-8-18-11/h6,8-10H,2-5H2,1H3,(H,15,18)(H2,14,16,17)/t9-,10-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	206	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 sf9 cell membrane co-expressing mammalian Galphai2 and Gbeta1gamma2 incubated for 90 min...				J Med Chem 59: 3452-70 (2016) BindingDB Entry DOI: 10.7270/Q23T9K42
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50170118 (CHEMBL3804906) Show SMILES CN\C(NC[C@H]1CC[C@@H](C1)c1c[nH]cn1)=N/C#N |r| Show InChI InChI=1S/C12H18N6/c1-14-12(17-7-13)16-5-9-2-3-10(4-9)11-6-15-8-18-11/h6,8-10H,2-5H2,1H3,(H,15,18)(H2,14,16,17)/t9-,10-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	994	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 sf9 cell membrane co-expressing mammalian Galphai2 and Gbeta1gamma2 incubated for 90 min...				J Med Chem 59: 3452-70 (2016) BindingDB Entry DOI: 10.7270/Q23T9K42
					More data for this Ligand-Target Pair