Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H2 receptor' and Ligand = 'BDBM50500120'   

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))	BDBM50500120 (CHEMBL3747276) Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)-n1cc(nn1)-c1ccco1)C(=O)NC |r| Show InChI InChI=1S/C20H21N9O4/c1-21-16-12-17(25-19(24-16)29-7-10(26-27-29)11-4-3-5-33-11)28(8-23-12)13-9-6-20(9,18(32)22-2)15(31)14(13)30/h3-5,7-9,13-15,30-31H,6H2,1-2H3,(H,22,32)(H,21,24,25)/t9-,13-,14+,15+,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]tiotidine from H2 histamine receptor (unknown origin) expressed in cells incubated for 1.5 hrs by scintillation counting method				Medchemcomm 6: 555-563 Article DOI: 10.1039/c4md00571f BindingDB Entry DOI: 10.7270/Q2DB84W4
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