BDBM50360999 CHEMBL1935436

SMILES: OCCN1CCCC(C1)c1nc2ccccc2n1Cc1ccc(F)cc1

InChI Key: InChIKey=DFNGZIPWXHTTPA-UHFFFAOYSA-N

Data: 2 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 3 hits for monomerid = 50360999   

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))	BDBM50360999 (CHEMBL1935436) Show SMILES OCCN1CCCC(C1)c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C21H24FN3O/c22-18-9-7-16(8-10-18)14-25-20-6-2-1-5-19(20)23-21(25)17-4-3-11-24(15-17)12-13-26/h1-2,5-10,17,26H,3-4,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Antagonist activity at histamine H1 receptor				Bioorg Med Chem Lett 22: 421-6 (2011) Article DOI: 10.1016/j.bmcl.2011.10.115 BindingDB Entry DOI: 10.7270/Q2J103KS
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50360999 (CHEMBL1935436) Show SMILES OCCN1CCCC(C1)c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C21H24FN3O/c22-18-9-7-16(8-10-18)14-25-20-6-2-1-5-19(20)23-21(25)17-4-3-11-24(15-17)12-13-26/h1-2,5-10,17,26H,3-4,11-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]dofetolide from human Erg				Bioorg Med Chem Lett 22: 421-6 (2011) Article DOI: 10.1016/j.bmcl.2011.10.115 BindingDB Entry DOI: 10.7270/Q2J103KS
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50360999 (CHEMBL1935436) Show SMILES OCCN1CCCC(C1)c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C21H24FN3O/c22-18-9-7-16(8-10-18)14-25-20-6-2-1-5-19(20)23-21(25)17-4-3-11-24(15-17)12-13-26/h1-2,5-10,17,26H,3-4,11-15H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 22: 421-6 (2011) Article DOI: 10.1016/j.bmcl.2011.10.115 BindingDB Entry DOI: 10.7270/Q2J103KS
					More data for this Ligand-Target Pair