Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histamine H2 receptor' and Ligand = 'BDBM50415918'   

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 (Cavia porcellus (domestic guinea pig))	BDBM50415918 (CHEMBL1096428) Show SMILES C[C@H](CC(=O)NC(N)=NCCCc1cnc[nH]1)c1ccccc1 |r,w:8.8| Show InChI InChI=1S/C17H23N5O/c1-13(14-6-3-2-4-7-14)10-16(23)22-17(18)20-9-5-8-15-11-19-12-21-15/h2-4,6-7,11-13H,5,8-10H2,1H3,(H,19,21)(H3,18,20,22,23)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	93.3	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at histamine H2 receptor in spontaneously beating guinea pig atrium				Bioorg Med Chem Lett 20: 3173-6 (2010) Article DOI: 10.1016/j.bmcl.2010.03.082 BindingDB Entry DOI: 10.7270/Q2RF5W9M
					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM50415918 (CHEMBL1096428) Show SMILES C[C@H](CC(=O)NC(N)=NCCCc1cnc[nH]1)c1ccccc1 |r,w:8.8| Show InChI InChI=1S/C17H23N5O/c1-13(14-6-3-2-4-7-14)10-16(23)22-17(18)20-9-5-8-15-11-19-12-21-15/h2-4,6-7,11-13H,5,8-10H2,1H3,(H,19,21)(H3,18,20,22,23)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	75.9	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at GsalphaS-fused guinea pig histamine H2 receptor expressed in Sf9 cells by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 20: 3173-6 (2010) Article DOI: 10.1016/j.bmcl.2010.03.082 BindingDB Entry DOI: 10.7270/Q2RF5W9M
					More data for this Ligand-Target Pair
Histamine H2 receptor (Homo sapiens (Human))	BDBM50415918 (CHEMBL1096428) Show SMILES C[C@H](CC(=O)NC(N)=NCCCc1cnc[nH]1)c1ccccc1 |r,w:8.8| Show InChI InChI=1S/C17H23N5O/c1-13(14-6-3-2-4-7-14)10-16(23)22-17(18)20-9-5-8-15-11-19-12-21-15/h2-4,6-7,11-13H,5,8-10H2,1H3,(H,19,21)(H3,18,20,22,23)/t13-/m1/s1	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	120	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at GsalphaS-fused human histamine H2 receptor expressed in Sf9 cells by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 20: 3173-6 (2010) Article DOI: 10.1016/j.bmcl.2010.03.082 BindingDB Entry DOI: 10.7270/Q2RF5W9M
					More data for this Ligand-Target Pair