Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histamine H3 receptor' and Ligand = 'BDBM197114'   

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 (Homo sapiens (Human))	BDBM197114 (US9216182, 1.60) Show SMILES COC(=O)c1ccc(cn1)N1CCC(CC1)OC(=O)N1CCN(CC1)C1CCC1 Show InChI InChI=1S/C21H30N4O4/c1-28-20(26)19-6-5-17(15-22-19)23-9-7-18(8-10-23)29-21(27)25-13-11-24(12-14-25)16-3-2-4-16/h5-6,15-16,18H,2-4,7-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The potency of compounds of the invention as H3 receptor antagonists can be assessed by measuring the blockade of (R)-alpha-methylhistamine-mediated ...				US Patent US9216182 (2015) BindingDB Entry DOI: 10.7270/Q2125RGW
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM197114 (US9216182, 1.60) Show SMILES COC(=O)c1ccc(cn1)N1CCC(CC1)OC(=O)N1CCN(CC1)C1CCC1 Show InChI InChI=1S/C21H30N4O4/c1-28-20(26)19-6-5-17(15-22-19)23-9-7-18(8-10-23)29-21(27)25-13-11-24(12-14-25)16-3-2-4-16/h5-6,15-16,18H,2-4,7-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.40	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description The affinity of compounds of the invention to the H3 receptor can be assessed by measuring displacement of binding of the radioligand [3H]-N-α-Methy...				US Patent US9216182 (2015) BindingDB Entry DOI: 10.7270/Q2125RGW
					More data for this Ligand-Target Pair