BDBM50317720 (4-cyclobutyl-1,4-diazepan-1-yl)((2R,4S)-4-(4-fluorophenoxy)-1-(methylsulfonyl)pyrrolidin-2-yl)methanone::CHEMBL1096522

SMILES: CS(=O)(=O)N1C[C@H](C[C@@H]1C(=O)N1CCCN(CC1)C1CCC1)Oc1ccc(F)cc1

InChI Key: InChIKey=KWQYFYUCSMMMCY-VQTJNVASSA-N

Data: 1 KI

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 1 hit for monomerid = 50317720   

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 (Homo sapiens (Human))	BDBM50317720 ((4-cyclobutyl-1,4-diazepan-1-yl)((2R,4S)-4-(4-fluo...) Show SMILES CS(=O)(=O)N1C[C@H](C[C@@H]1C(=O)N1CCCN(CC1)C1CCC1)Oc1ccc(F)cc1 |r| Show InChI InChI=1S/C21H30FN3O4S/c1-30(27,28)25-15-19(29-18-8-6-16(22)7-9-18)14-20(25)21(26)24-11-3-10-23(12-13-24)17-4-2-5-17/h6-9,17,19-20H,2-5,10-15H2,1H3/t19-,20+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity to human histamine H3 receptor				Bioorg Med Chem Lett 20: 2755-60 (2010) Article DOI: 10.1016/j.bmcl.2010.03.071 BindingDB Entry DOI: 10.7270/Q2Z60P7S
					More data for this Ligand-Target Pair