BDBM50419329 CHEMBL1910378

SMILES: COc1ccc(CN(CCN2CCN(CC2)C(=O)c2cc3ccccc3[nH]2)c2ccccn2)cc1

InChI Key: InChIKey=LAKQJOXTAMPPOO-UHFFFAOYSA-N

Data: 2 KI  1 Kd  1 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 4 hits for monomerid = 50419329   

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))	BDBM50419329 (CHEMBL1910378) Show SMILES COc1ccc(CN(CCN2CCN(CC2)C(=O)c2cc3ccccc3[nH]2)c2ccccn2)cc1 Show InChI InChI=1S/C28H31N5O2/c1-35-24-11-9-22(10-12-24)21-33(27-8-4-5-13-29-27)19-16-31-14-17-32(18-15-31)28(34)26-20-23-6-2-3-7-25(23)30-26/h2-13,20,30H,14-19,21H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	170	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))	BDBM50419329 (CHEMBL1910378) Show SMILES COc1ccc(CN(CCN2CCN(CC2)C(=O)c2cc3ccccc3[nH]2)c2ccccn2)cc1 Show InChI InChI=1S/C28H31N5O2/c1-35-24-11-9-22(10-12-24)21-33(27-8-4-5-13-29-27)19-16-31-14-17-32(18-15-31)28(34)26-20-23-6-2-3-7-25(23)30-26/h2-13,20,30H,14-19,21H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.89E+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]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 H4 receptor (Homo sapiens (Human))	BDBM50419329 (CHEMBL1910378) Show SMILES COc1ccc(CN(CCN2CCN(CC2)C(=O)c2cc3ccccc3[nH]2)c2ccccn2)cc1 Show InChI InChI=1S/C28H31N5O2/c1-35-24-11-9-22(10-12-24)21-33(27-8-4-5-13-29-27)19-16-31-14-17-32(18-15-31)28(34)26-20-23-6-2-3-7-25(23)30-26/h2-13,20,30H,14-19,21H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.05E+5	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Partial agonist activity at human H4R expressed in Sf9 cells co-expressing RGS19, Galphai2 and Gbeta1gamma2 assessed as stimulation of [35S]GTPgammaS...				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))	BDBM50419329 (CHEMBL1910378) Show SMILES COc1ccc(CN(CCN2CCN(CC2)C(=O)c2cc3ccccc3[nH]2)c2ccccn2)cc1 Show InChI InChI=1S/C28H31N5O2/c1-35-24-11-9-22(10-12-24)21-33(27-8-4-5-13-29-27)19-16-31-14-17-32(18-15-31)28(34)26-20-23-6-2-3-7-25(23)30-26/h2-13,20,30H,14-19,21H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	10.7	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