BDBM50441639 CHEMBL2437428

SMILES: Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(CC3CCCCC3)c2=O)ccn1

InChI Key: InChIKey=USFZHGOWALHXMB-UHFFFAOYSA-N

Data: 1 KI  1 IC50  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 = 50441639   

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 (GUINEA PIG)	BDBM50441639 (CHEMBL2437428) Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(CC3CCCCC3)c2=O)ccn1 Show InChI InChI=1S/C31H41FN6O2/c32-25-6-7-27-28(19-25)37(21-22-4-2-1-3-5-22)31(40)38(27)26-11-16-36(17-12-26)30(39)24-9-14-35(15-10-24)20-23-8-13-34-29(33)18-23/h6-8,13,18-19,22,24,26H,1-5,9-12,14-17,20-21H2,(H2,33,34)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methyl histamine from histamine H3 receptor in guinea pig brain homogenates				Bioorg Med Chem Lett 23: 6001-3 (2013) Article DOI: 10.1016/j.bmcl.2013.08.012 BindingDB Entry DOI: 10.7270/Q2542Q1F
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50441639 (CHEMBL2437428) Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(CC3CCCCC3)c2=O)ccn1 Show InChI InChI=1S/C31H41FN6O2/c32-25-6-7-27-28(19-25)37(21-22-4-2-1-3-5-22)31(40)38(27)26-11-16-36(17-12-26)30(39)24-9-14-35(15-10-24)20-23-8-13-34-29(33)18-23/h6-8,13,18-19,22,24,26H,1-5,9-12,14-17,20-21H2,(H2,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes				Bioorg Med Chem Lett 23: 6001-3 (2013) Article DOI: 10.1016/j.bmcl.2013.08.012 BindingDB Entry DOI: 10.7270/Q2542Q1F
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50441639 (CHEMBL2437428) Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(CC3CCCCC3)c2=O)ccn1 Show InChI InChI=1S/C31H41FN6O2/c32-25-6-7-27-28(19-25)37(21-22-4-2-1-3-5-22)31(40)38(27)26-11-16-36(17-12-26)30(39)24-9-14-35(15-10-24)20-23-8-13-34-29(33)18-23/h6-8,13,18-19,22,24,26H,1-5,9-12,14-17,20-21H2,(H2,33,34)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at histamine H3 receptor in electrically stimulated guinea pig ileum				Bioorg Med Chem Lett 23: 6001-3 (2013) Article DOI: 10.1016/j.bmcl.2013.08.012 BindingDB Entry DOI: 10.7270/Q2542Q1F
					More data for this Ligand-Target Pair