Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H2 receptor' and Ligand = 'BDBM50220461'   

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 H2 receptor (Homo sapiens (Human))	BDBM50220461 (CHEMBL59733) Show SMILES N[C@H](Cc1nccs1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1 Show InChI InChI=1S/C23H30N4O3S/c24-20(16-21-25-8-15-31-21)23(29)27-12-10-26(11-13-27)9-1-14-30-19-6-4-18(5-7-19)22(28)17-2-3-17/h4-8,15,17,20H,1-3,9-14,16,24H2/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	9.77E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Histamine H2 receptor from human membranes				Bioorg Med Chem Lett 12: 2035-7 (2002) BindingDB Entry DOI: 10.7270/Q2RB75SX
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