Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H2 receptor' and Ligand = 'BDBM50220432'   

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))	BDBM50220432 (CHEMBL62266) Show SMILES CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@H](Cc2ccncc2)NC(=O)OC(C)(C)C)cc1 Show InChI InChI=1S/C32H46N4O5/c1-5-6-7-9-29(37)26-10-12-27(13-11-26)40-23-8-18-35-19-21-36(22-20-35)30(38)28(24-25-14-16-33-17-15-25)34-31(39)41-32(2,3)4/h10-17,28H,5-9,18-24H2,1-4H3,(H,34,39)/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.48E+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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