BDBM50419327 CHEMBL1910380

SMILES: COc1ccc(CN(CCN2CCN(CC2)C(=O)c2nc3ccccc3[nH]2)c2ccccn2)cc1

InChI Key: InChIKey=GREREVYRUNFCTM-UHFFFAOYSA-N

Data: 2 KI  1 Kd

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 = 50419327   

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 H1 receptor (Homo sapiens (Human))	BDBM50419327 (CHEMBL1910380) Show SMILES COc1ccc(CN(CCN2CCN(CC2)C(=O)c2nc3ccccc3[nH]2)c2ccccn2)cc1 Show InChI InChI=1S/C27H30N6O2/c1-35-22-11-9-21(10-12-22)20-33(25-8-4-5-13-28-25)19-16-31-14-17-32(18-15-31)27(34)26-29-23-6-2-3-7-24(23)30-26/h2-13H,14-20H2,1H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	603	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 H1R expressed in Sf9 cells co-expressing RGS4 after 90 mins by liquid scintillation counting				Bioorg Med Chem Lett 21: 6274-80 (2011) Article DOI: 10.1016/j.bmcl.2011.09.001 BindingDB Entry DOI: 10.7270/Q28K7BB7
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50419327 (CHEMBL1910380) Show SMILES COc1ccc(CN(CCN2CCN(CC2)C(=O)c2nc3ccccc3[nH]2)c2ccccn2)cc1 Show InChI InChI=1S/C27H30N6O2/c1-35-22-11-9-21(10-12-22)20-33(25-8-4-5-13-28-25)19-16-31-14-17-32(18-15-31)27(34)26-29-23-6-2-3-7-24(23)30-26/h2-13H,14-20H2,1H3,(H,29,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.24E+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 H4R expressed in Sf9 cells co-expressing RGS19, Galphai2 and Gbeta1gamma2 after 60 mins by liquid scintillat...				Bioorg Med Chem Lett 21: 6274-80 (2011) Article DOI: 10.1016/j.bmcl.2011.09.001 BindingDB Entry DOI: 10.7270/Q28K7BB7
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50419327 (CHEMBL1910380) Show SMILES COc1ccc(CN(CCN2CCN(CC2)C(=O)c2nc3ccccc3[nH]2)c2ccccn2)cc1 Show InChI InChI=1S/C27H30N6O2/c1-35-22-11-9-21(10-12-22)20-33(25-8-4-5-13-28-25)19-16-31-14-17-32(18-15-31)27(34)26-29-23-6-2-3-7-24(23)30-26/h2-13H,14-20H2,1H3,(H,29,30)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.24	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Antagonist activity at H1R in guinea pig ileum assessed as inhibition of histamine-induced muscle contraction after 15 mins				Bioorg Med Chem Lett 21: 6274-80 (2011) Article DOI: 10.1016/j.bmcl.2011.09.001 BindingDB Entry DOI: 10.7270/Q28K7BB7
					More data for this Ligand-Target Pair