BDBM50441640 CHEMBL2437427

SMILES: Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(C3CCCC3)c2=O)ccn1

InChI Key: InChIKey=HYUUZONCAYJTHP-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 = 50441640   

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)	BDBM50441640 (CHEMBL2437427) Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(C3CCCC3)c2=O)ccn1 Show InChI InChI=1S/C29H37FN6O2/c30-22-5-6-25-26(18-22)36(23-3-1-2-4-23)29(38)35(25)24-10-15-34(16-11-24)28(37)21-8-13-33(14-9-21)19-20-7-12-32-27(31)17-20/h5-7,12,17-18,21,23-24H,1-4,8-11,13-16,19H2,(H2,31,32)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.10	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))	BDBM50441640 (CHEMBL2437427) Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(C3CCCC3)c2=O)ccn1 Show InChI InChI=1S/C29H37FN6O2/c30-22-5-6-25-26(18-22)36(23-3-1-2-4-23)29(38)35(25)24-10-15-34(16-11-24)28(37)21-8-13-33(14-9-21)19-20-7-12-32-27(31)17-20/h5-7,12,17-18,21,23-24H,1-4,8-11,13-16,19H2,(H2,31,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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)	BDBM50441640 (CHEMBL2437427) Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(C3CCCC3)c2=O)ccn1 Show InChI InChI=1S/C29H37FN6O2/c30-22-5-6-25-26(18-22)36(23-3-1-2-4-23)29(38)35(25)24-10-15-34(16-11-24)28(37)21-8-13-33(14-9-21)19-20-7-12-32-27(31)17-20/h5-7,12,17-18,21,23-24H,1-4,8-11,13-16,19H2,(H2,31,32)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	6.30	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