BDBM50170127 CHEMBL3806079

SMILES: N#C\N=C(\NCCSc1ccccc1)NC[C@@H]1CC[C@@H](C1)c1c[nH]cn1

InChI Key: InChIKey=MMZLYDNVAYWZLR-CVEARBPZSA-N

Data: 7 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 9 hits for monomerid = 50170127   

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))	BDBM50170127 (CHEMBL3806079) Show SMILES N#C\N=C(\NCCSc1ccccc1)NC[C@@H]1CC[C@@H](C1)c1c[nH]cn1 |r| Show InChI InChI=1S/C19H24N6S/c20-13-24-19(22-8-9-26-17-4-2-1-3-5-17)23-11-15-6-7-16(10-15)18-12-21-14-25-18/h1-5,12,14-16H,6-11H2,(H,21,25)(H2,22,23,24)/t15-,16+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	180	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))	BDBM50170127 (CHEMBL3806079) Show SMILES N#C\N=C(\NCCSc1ccccc1)NC[C@@H]1CC[C@@H](C1)c1c[nH]cn1 |r| Show InChI InChI=1S/C19H24N6S/c20-13-24-19(22-8-9-26-17-4-2-1-3-5-17)23-11-15-6-7-16(10-15)18-12-21-14-25-18/h1-5,12,14-16H,6-11H2,(H,21,25)(H2,22,23,24)/t15-,16+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	250	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))	BDBM50170127 (CHEMBL3806079) Show SMILES N#C\N=C(\NCCSc1ccccc1)NC[C@@H]1CC[C@@H](C1)c1c[nH]cn1 |r| Show InChI InChI=1S/C19H24N6S/c20-13-24-19(22-8-9-26-17-4-2-1-3-5-17)23-11-15-6-7-16(10-15)18-12-21-14-25-18/h1-5,12,14-16H,6-11H2,(H,21,25)(H2,22,23,24)/t15-,16+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	870	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))	BDBM50170127 (CHEMBL3806079) Show SMILES N#C\N=C(\NCCSc1ccccc1)NC[C@@H]1CC[C@@H](C1)c1c[nH]cn1 |r| Show InChI InChI=1S/C19H24N6S/c20-13-24-19(22-8-9-26-17-4-2-1-3-5-17)23-11-15-6-7-16(10-15)18-12-21-14-25-18/h1-5,12,14-16H,6-11H2,(H,21,25)(H2,22,23,24)/t15-,16+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.35E+3	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 H1 receptor (Homo sapiens (Human))	BDBM50170127 (CHEMBL3806079) Show SMILES N#C\N=C(\NCCSc1ccccc1)NC[C@@H]1CC[C@@H](C1)c1c[nH]cn1 |r| Show InChI InChI=1S/C19H24N6S/c20-13-24-19(22-8-9-26-17-4-2-1-3-5-17)23-11-15-6-7-16(10-15)18-12-21-14-25-18/h1-5,12,14-16H,6-11H2,(H,21,25)(H2,22,23,24)/t15-,16+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.05E+3	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))	BDBM50170127 (CHEMBL3806079) Show SMILES N#C\N=C(\NCCSc1ccccc1)NC[C@@H]1CC[C@@H](C1)c1c[nH]cn1 |r| Show InChI InChI=1S/C19H24N6S/c20-13-24-19(22-8-9-26-17-4-2-1-3-5-17)23-11-15-6-7-16(10-15)18-12-21-14-25-18/h1-5,12,14-16H,6-11H2,(H,21,25)(H2,22,23,24)/t15-,16+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.80E+3	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 H2 receptor (Homo sapiens (Human))	BDBM50170127 (CHEMBL3806079) Show SMILES N#C\N=C(\NCCSc1ccccc1)NC[C@@H]1CC[C@@H](C1)c1c[nH]cn1 |r| Show InChI InChI=1S/C19H24N6S/c20-13-24-19(22-8-9-26-17-4-2-1-3-5-17)23-11-15-6-7-16(10-15)18-12-21-14-25-18/h1-5,12,14-16H,6-11H2,(H,21,25)(H2,22,23,24)/t15-,16+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.25E+3	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 H4 receptor (Homo sapiens (Human))	BDBM50170127 (CHEMBL3806079) Show SMILES N#C\N=C(\NCCSc1ccccc1)NC[C@@H]1CC[C@@H](C1)c1c[nH]cn1 |r| Show InChI InChI=1S/C19H24N6S/c20-13-24-19(22-8-9-26-17-4-2-1-3-5-17)23-11-15-6-7-16(10-15)18-12-21-14-25-18/h1-5,12,14-16H,6-11H2,(H,21,25)(H2,22,23,24)/t15-,16+/m1/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	129	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))	BDBM50170127 (CHEMBL3806079) Show SMILES N#C\N=C(\NCCSc1ccccc1)NC[C@@H]1CC[C@@H](C1)c1c[nH]cn1 |r| Show InChI InChI=1S/C19H24N6S/c20-13-24-19(22-8-9-26-17-4-2-1-3-5-17)23-11-15-6-7-16(10-15)18-12-21-14-25-18/h1-5,12,14-16H,6-11H2,(H,21,25)(H2,22,23,24)/t15-,16+/m1/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	293	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