BDBM50440999 CHEMBL2432052

SMILES: CN(CCc1cccc(F)c1)[C@@H]1C2C3C4C2C(=O)C2C4CC3C12

InChI Key: InChIKey=SGFPDDMJMPKKTB-RAOGCBAWSA-N

Data: 1 KI

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50440999   

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))	BDBM50440999 (CHEMBL2432052) Show SMILES CN(CCc1cccc(F)c1)[C@@H]1C2C3C4C2C(=O)C2C4CC3C12 |r,TLB:11:22:13.14:20,16:18:13.14:20,THB:12:13:20:22.18,15:14:20:22.18| Show InChI InChI=1S/C20H22FNO/c1-22(6-5-9-3-2-4-10(21)7-9)19-15-11-8-12-14-13(11)17(19)18(14)20(23)16(12)15/h2-4,7,11-19H,5-6,8H2,1H3/t11?,12?,13?,14?,15?,16?,17?,18?,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of histamine H1 receptor (unknown origin) by PDSP assay				Bioorg Med Chem 21: 6038-52 (2013) Article DOI: 10.1016/j.bmc.2013.07.045 BindingDB Entry DOI: 10.7270/Q20P11GK
					More data for this Ligand-Target Pair