Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histamine H3 receptor' and Ligand = 'BDBM50051211'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50051211 (CHEMBL16957 | Cyclobutylmethyl-carbamic acid 3-(1H...) Show SMILES O=C(NCC1CCC1)OCCCc1cnc[nH]1 Show InChI InChI=1S/C12H19N3O2/c16-12(14-7-10-3-1-4-10)17-6-2-5-11-8-13-9-15-11/h8-10H,1-7H2,(H,13,15)(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description Binding affinity against Histamine H3 receptor on Synaptosomes from rat cerebral cortex was evaluated				J Med Chem 39: 1157-63 (1996) Article DOI: 10.1021/jm9507688 BindingDB Entry DOI: 10.7270/Q2SF2V7G
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50051211 (CHEMBL16957 | Cyclobutylmethyl-carbamic acid 3-(1H...) Show SMILES O=C(NCC1CCC1)OCCCc1cnc[nH]1 Show InChI InChI=1S/C12H19N3O2/c16-12(14-7-10-3-1-4-10)17-6-2-5-11-8-13-9-15-11/h8-10H,1-7H2,(H,13,15)(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro antagonistic activity of the compound against Histamine H3 receptor on Synaptosomes of rat cerebral cortex.				J Med Chem 39: 1157-63 (1996) Article DOI: 10.1021/jm9507688 BindingDB Entry DOI: 10.7270/Q2SF2V7G
					More data for this Ligand-Target Pair