Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histamine H2 receptor' and Ligand = 'BDBM50413507'   

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))	BDBM50413507 (CHEMBL475620 | UR-PI182) Show SMILES NC(NC(=O)CCCNC(=O)c1cc2ccccc2[nH]1)=NCCCc1cnc[nH]1 |w:20.22| Show InChI InChI=1S/C20H25N7O2/c21-20(24-10-3-6-15-12-22-13-25-15)27-18(28)8-4-9-23-19(29)17-11-14-5-1-2-7-16(14)26-17/h1-2,5,7,11-13,26H,3-4,6,8-10H2,(H,22,25)(H,23,29)(H3,21,24,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at human H2 receptor expressed in insect Sf9 cells co-expressing GsalphaS fusion protein assessed as gamma[32P]GTP binding by liquid...				J Med Chem 52: 2623-7 (2009) Article DOI: 10.1021/jm9000693 BindingDB Entry DOI: 10.7270/Q2P270BN
					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM50413507 (CHEMBL475620 | UR-PI182) Show SMILES NC(NC(=O)CCCNC(=O)c1cc2ccccc2[nH]1)=NCCCc1cnc[nH]1 |w:20.22| Show InChI InChI=1S/C20H25N7O2/c21-20(24-10-3-6-15-12-22-13-25-15)27-18(28)8-4-9-23-19(29)17-11-14-5-1-2-7-16(14)26-17/h1-2,5,7,11-13,26H,3-4,6,8-10H2,(H,22,25)(H,23,29)(H3,21,24,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	490	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at histamine H2 receptor in guinea pig atrium assessed as increase in heart rate				J Med Chem 52: 2623-7 (2009) Article DOI: 10.1021/jm9000693 BindingDB Entry DOI: 10.7270/Q2P270BN
					More data for this Ligand-Target Pair