BDBM50317687 1-((2R,4S)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-4-(thiophen-2-yloxy)pyrrolidin-1-yl)ethanone::CHEMBL1098780

SMILES: CC(=O)N1C[C@H](C[C@@H]1C(=O)N1CCCN(CC1)C1CCC1)Oc1cccs1

InChI Key: InChIKey=UVJZGEMYQSRVOF-ZWKOTPCHSA-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 = 50317687   

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))	BDBM50317687 (1-((2R,4S)-2-(4-cyclobutyl-1,4-diazepane-1-carbony...) Show SMILES CC(=O)N1C[C@H](C[C@@H]1C(=O)N1CCCN(CC1)C1CCC1)Oc1cccs1 |r| Show InChI InChI=1S/C20H29N3O3S/c1-15(24)23-14-17(26-19-7-3-12-27-19)13-18(23)20(25)22-9-4-8-21(10-11-22)16-5-2-6-16/h3,7,12,16-18H,2,4-6,8-11,13-14H2,1H3/t17-,18+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	3.70	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