BDBM50419325 CHEMBL1910382

SMILES: COc1ccc(CN(CCN(C)CCN2CCN(CC2)C(=O)c2cc3cc(Cl)ccc3[nH]2)c2ccccn2)cc1

InChI Key: InChIKey=GZUNLKUPHLSRKX-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 = 50419325   

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))	BDBM50419325 (CHEMBL1910382) Show SMILES COc1ccc(CN(CCN(C)CCN2CCN(CC2)C(=O)c2cc3cc(Cl)ccc3[nH]2)c2ccccn2)cc1 Show InChI InChI=1S/C31H37ClN6O2/c1-35(14-18-38(30-5-3-4-12-33-30)23-24-6-9-27(40-2)10-7-24)13-15-36-16-19-37(20-17-36)31(39)29-22-25-21-26(32)8-11-28(25)34-29/h3-12,21-22,34H,13-20,23H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	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))	BDBM50419325 (CHEMBL1910382) Show SMILES COc1ccc(CN(CCN(C)CCN2CCN(CC2)C(=O)c2cc3cc(Cl)ccc3[nH]2)c2ccccn2)cc1 Show InChI InChI=1S/C31H37ClN6O2/c1-35(14-18-38(30-5-3-4-12-33-30)23-24-6-9-27(40-2)10-7-24)13-15-36-16-19-37(20-17-36)31(39)29-22-25-21-26(32)8-11-28(25)34-29/h3-12,21-22,34H,13-20,23H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.76E+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 H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50419325 (CHEMBL1910382) Show SMILES COc1ccc(CN(CCN(C)CCN2CCN(CC2)C(=O)c2cc3cc(Cl)ccc3[nH]2)c2ccccn2)cc1 Show InChI InChI=1S/C31H37ClN6O2/c1-35(14-18-38(30-5-3-4-12-33-30)23-24-6-9-27(40-2)10-7-24)13-15-36-16-19-37(20-17-36)31(39)29-22-25-21-26(32)8-11-28(25)34-29/h3-12,21-22,34H,13-20,23H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.59	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