Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histamine H2 receptor' and Ligand = 'BDBM50394694'   

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))	BDBM50394694 (CHEMBL2165642) Show SMILES NC(NC(=O)CCCCCCCCC(=O)NC(=N)NCCCc1cnc[nH]1)=NCCCc1cnc[nH]1 |w:27.28| Show InChI InChI=1S/C24H40N10O2/c25-23(29-13-7-9-19-15-27-17-31-19)33-21(35)11-5-3-1-2-4-6-12-22(36)34-24(26)30-14-8-10-20-16-28-18-32-20/h15-18H,1-14H2,(H,27,31)(H,28,32)(H3,25,29,33,35)(H3,26,30,34,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.603	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at H2R in spontaneously beating guinea pig right atrium assessed as increase in heart rate				J Med Chem 55: 1147-60 (2012) Article DOI: 10.1021/jm201128q BindingDB Entry DOI: 10.7270/Q2HQ411W
					More data for this Ligand-Target Pair
Histamine H2 receptor (Homo sapiens (Human))	BDBM50394694 (CHEMBL2165642) Show SMILES NC(NC(=O)CCCCCCCCC(=O)NC(=N)NCCCc1cnc[nH]1)=NCCCc1cnc[nH]1 |w:27.28| Show InChI InChI=1S/C24H40N10O2/c25-23(29-13-7-9-19-15-27-17-31-19)33-21(35)11-5-3-1-2-4-6-12-22(36)34-24(26)30-14-8-10-20-16-28-18-32-20/h15-18H,1-14H2,(H,27,31)(H,28,32)(H3,25,29,33,35)(H3,26,30,34,36)	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	6.17	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at human H2R-Gsalphas expressed in Sf9 cells at 0.1 nM to 10 uM by steady state GTPase activity assay				J Med Chem 55: 1147-60 (2012) Article DOI: 10.1021/jm201128q BindingDB Entry DOI: 10.7270/Q2HQ411W
					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM50394694 (CHEMBL2165642) Show SMILES NC(NC(=O)CCCCCCCCC(=O)NC(=N)NCCCc1cnc[nH]1)=NCCCc1cnc[nH]1 |w:27.28| Show InChI InChI=1S/C24H40N10O2/c25-23(29-13-7-9-19-15-27-17-31-19)33-21(35)11-5-3-1-2-4-6-12-22(36)34-24(26)30-14-8-10-20-16-28-18-32-20/h15-18H,1-14H2,(H,27,31)(H,28,32)(H3,25,29,33,35)(H3,26,30,34,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.15	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at guinea pig H2R-Gsalphas expressed in Sf9 cells at 0.1 nM to 10 uM by steady state GTPase activity assay				J Med Chem 55: 1147-60 (2012) Article DOI: 10.1021/jm201128q BindingDB Entry DOI: 10.7270/Q2HQ411W
					More data for this Ligand-Target Pair