Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Histamine H2 receptor' and Ligand = 'BDBM50377986'   

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))	BDBM50377986 (CHEMBL483406 | UR-AK24) Show SMILES CC(CC(=O)NC(N)=NCCCc1cnc[nH]1)c1ccccc1 |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)	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	68	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))	BDBM50377986 (CHEMBL483406 | UR-AK24) Show SMILES CC(CC(=O)NC(N)=NCCCc1cnc[nH]1)c1ccccc1 |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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	16	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
Histamine H2 receptor (Homo sapiens (Human))	BDBM50377986 (CHEMBL483406 | UR-AK24) Show SMILES CC(CC(=O)NC(N)=NCCCc1cnc[nH]1)c1ccccc1 |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)	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	63	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at human histamine H2 receptor expressed in Sf9 cells coexpressing Gsalphas by steady-state GTPase activity assay				Bioorg Med Chem Lett 20: 7191-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.041 BindingDB Entry DOI: 10.7270/Q2Q81GX5
					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM50377986 (CHEMBL483406 | UR-AK24) Show SMILES CC(CC(=O)NC(N)=NCCCc1cnc[nH]1)c1ccccc1 |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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Activity at guinea pig recombinant histamine H2 receptor-Gsalpha fusion protein expressed in Sf9 cells by steady-state GTPase activity assay				J Med Chem 51: 7193-204 (2009) Article DOI: 10.1021/jm800841w BindingDB Entry DOI: 10.7270/Q2RN38T6
					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM50377986 (CHEMBL483406 | UR-AK24) Show SMILES CC(CC(=O)NC(N)=NCCCc1cnc[nH]1)c1ccccc1 |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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	15.8	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 spontaneously beating right atrium assessed as positive chronotropic activity				J Med Chem 51: 7193-204 (2009) Article DOI: 10.1021/jm800841w BindingDB Entry DOI: 10.7270/Q2RN38T6
					More data for this Ligand-Target Pair
Histamine H2 receptor (Homo sapiens (Human))	BDBM50377986 (CHEMBL483406 | UR-AK24) Show SMILES CC(CC(=O)NC(N)=NCCCc1cnc[nH]1)c1ccccc1 |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)	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	67	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Activity at human recombinant histamine H2 receptor-Gsalpha fusion protein expressed in Sf9 cells by steady-state GTPase activity assay				J Med Chem 51: 7193-204 (2009) Article DOI: 10.1021/jm800841w BindingDB Entry DOI: 10.7270/Q2RN38T6
					More data for this Ligand-Target Pair