BDBM50474243 CHEMBL106570

SMILES: C\N=C(\NC[C@@H]1CC[C@H](O1)c1c[nH]cn1)NC#N

InChI Key: InChIKey=CCOQWVUQXNRKKP-WPRPVWTQSA-N

Data: 4 KI  4 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 8 hits for monomerid = 50474243   

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))	BDBM50474243 (CHEMBL106570) Show SMILES C\N=C(\NC[C@@H]1CC[C@H](O1)c1c[nH]cn1)NC#N Show InChI InChI=1S/C11H16N6O/c1-13-11(16-6-12)15-4-8-2-3-10(18-8)9-5-14-7-17-9/h5,7-8,10H,2-4H2,1H3,(H,14,17)(H2,13,15,16)/t8-,10-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.86E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Histamine H3 receptor competition binding using [3H]Na-methylhistamine				J Med Chem 46: 3162-5 (2003) Article DOI: 10.1021/jm0300025 BindingDB Entry DOI: 10.7270/Q24B343F
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50474243 (CHEMBL106570) Show SMILES C\N=C(\NC[C@@H]1CC[C@H](O1)c1c[nH]cn1)NC#N Show InChI InChI=1S/C11H16N6O/c1-13-11(16-6-12)15-4-8-2-3-10(18-8)9-5-14-7-17-9/h5,7-8,10H,2-4H2,1H3,(H,14,17)(H2,13,15,16)/t8-,10-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.00E+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]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 H4 receptor (Homo sapiens (Human))	BDBM50474243 (CHEMBL106570) Show SMILES C\N=C(\NC[C@@H]1CC[C@H](O1)c1c[nH]cn1)NC#N Show InChI InChI=1S/C11H16N6O/c1-13-11(16-6-12)15-4-8-2-3-10(18-8)9-5-14-7-17-9/h5,7-8,10H,2-4H2,1H3,(H,14,17)(H2,13,15,16)/t8-,10-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.00E+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]-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 H4 receptor (Homo sapiens (Human))	BDBM50474243 (CHEMBL106570) Show SMILES C\N=C(\NC[C@@H]1CC[C@H](O1)c1c[nH]cn1)NC#N Show InChI InChI=1S/C11H16N6O/c1-13-11(16-6-12)15-4-8-2-3-10(18-8)9-5-14-7-17-9/h5,7-8,10H,2-4H2,1H3,(H,14,17)(H2,13,15,16)/t8-,10-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.04E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Histamine H4 receptor competition binding using [3H]Na-methylhistamine				J Med Chem 46: 3162-5 (2003) Article DOI: 10.1021/jm0300025 BindingDB Entry DOI: 10.7270/Q24B343F
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50474243 (CHEMBL106570) Show SMILES C\N=C(\NC[C@@H]1CC[C@H](O1)c1c[nH]cn1)NC#N Show InChI InChI=1S/C11H16N6O/c1-13-11(16-6-12)15-4-8-2-3-10(18-8)9-5-14-7-17-9/h5,7-8,10H,2-4H2,1H3,(H,14,17)(H2,13,15,16)/t8-,10-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.00E+4	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 H4 receptor (Homo sapiens (Human))	BDBM50474243 (CHEMBL106570) Show SMILES C\N=C(\NC[C@@H]1CC[C@H](O1)c1c[nH]cn1)NC#N Show InChI InChI=1S/C11H16N6O/c1-13-11(16-6-12)15-4-8-2-3-10(18-8)9-5-14-7-17-9/h5,7-8,10H,2-4H2,1H3,(H,14,17)(H2,13,15,16)/t8-,10-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.14E+4	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Inhibition of the forskolin-stimulated cAMP production in SK-N-MC cells expressing human Histamine H4 receptor				J Med Chem 46: 3162-5 (2003) Article DOI: 10.1021/jm0300025 BindingDB Entry DOI: 10.7270/Q24B343F
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50474243 (CHEMBL106570) Show SMILES C\N=C(\NC[C@@H]1CC[C@H](O1)c1c[nH]cn1)NC#N Show InChI InChI=1S/C11H16N6O/c1-13-11(16-6-12)15-4-8-2-3-10(18-8)9-5-14-7-17-9/h5,7-8,10H,2-4H2,1H3,(H,14,17)(H2,13,15,16)/t8-,10-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	<1.00E+5	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Inhibition of the forskolin-stimulated cAMP production in SK-N-MC cells expressing human Histamine H3 receptor				J Med Chem 46: 3162-5 (2003) Article DOI: 10.1021/jm0300025 BindingDB Entry DOI: 10.7270/Q24B343F
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50474243 (CHEMBL106570) Show SMILES C\N=C(\NC[C@@H]1CC[C@H](O1)c1c[nH]cn1)NC#N Show InChI InChI=1S/C11H16N6O/c1-13-11(16-6-12)15-4-8-2-3-10(18-8)9-5-14-7-17-9/h5,7-8,10H,2-4H2,1H3,(H,14,17)(H2,13,15,16)/t8-,10-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	<1.00E+5	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