BDBM50441645 CHEMBL2437422

SMILES: Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(CCN3CCOCC3)c2=O)ccn1

InChI Key: InChIKey=KYGYDBWEUNNQKG-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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 2 hits for monomerid = 50441645   

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)	BDBM50441645 (CHEMBL2437422) Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(CCN3CCOCC3)c2=O)ccn1 Show InChI InChI=1S/C30H40FN7O3/c31-24-1-2-26-27(20-24)37(14-13-34-15-17-41-18-16-34)30(40)38(26)25-6-11-36(12-7-25)29(39)23-4-9-35(10-5-23)21-22-3-8-33-28(32)19-22/h1-3,8,19-20,23,25H,4-7,9-18,21H2,(H2,32,33)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	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))	BDBM50441645 (CHEMBL2437422) Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(CCN3CCOCC3)c2=O)ccn1 Show InChI InChI=1S/C30H40FN7O3/c31-24-1-2-26-27(20-24)37(14-13-34-15-17-41-18-16-34)30(40)38(26)25-6-11-36(12-7-25)29(39)23-4-9-35(10-5-23)21-22-3-8-33-28(32)19-22/h1-3,8,19-20,23,25H,4-7,9-18,21H2,(H2,32,33)	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