Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Histamine H2 receptor' and Ligand = 'BDBM50394698'   

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))	BDBM50394698 (CHEMBL2165632) Show SMILES Cc1nc(N)sc1CCCNC(=N)NC(=O)CCCCCCCCC(=O)NC(=N)NCCCc1sc(N)nc1C Show InChI InChI=1S/C26H44N10O2S2/c1-17-19(39-25(29)33-17)11-9-15-31-23(27)35-21(37)13-7-5-3-4-6-8-14-22(38)36-24(28)32-16-10-12-20-18(2)34-26(30)40-20/h3-16H2,1-2H3,(H2,29,33)(H2,30,34)(H3,27,31,35,37)(H3,28,32,36,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.17	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))	BDBM50394698 (CHEMBL2165632) Show SMILES Cc1nc(N)sc1CCCNC(=N)NC(=O)CCCCCCCCC(=O)NC(=N)NCCCc1sc(N)nc1C Show InChI InChI=1S/C26H44N10O2S2/c1-17-19(39-25(29)33-17)11-9-15-31-23(27)35-21(37)13-7-5-3-4-6-8-14-22(38)36-24(28)32-16-10-12-20-18(2)34-26(30)40-20/h3-16H2,1-2H3,(H2,29,33)(H2,30,34)(H3,27,31,35,37)(H3,28,32,36,38)	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	7.76	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))	BDBM50394698 (CHEMBL2165632) Show SMILES Cc1nc(N)sc1CCCNC(=N)NC(=O)CCCCCCCCC(=O)NC(=N)NCCCc1sc(N)nc1C Show InChI InChI=1S/C26H44N10O2S2/c1-17-19(39-25(29)33-17)11-9-15-31-23(27)35-21(37)13-7-5-3-4-6-8-14-22(38)36-24(28)32-16-10-12-20-18(2)34-26(30)40-20/h3-16H2,1-2H3,(H2,29,33)(H2,30,34)(H3,27,31,35,37)(H3,28,32,36,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.390	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
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM50394698 (CHEMBL2165632) Show SMILES Cc1nc(N)sc1CCCNC(=N)NC(=O)CCCCCCCCC(=O)NC(=N)NCCCc1sc(N)nc1C Show InChI InChI=1S/C26H44N10O2S2/c1-17-19(39-25(29)33-17)11-9-15-31-23(27)35-21(37)13-7-5-3-4-6-8-14-22(38)36-24(28)32-16-10-12-20-18(2)34-26(30)40-20/h3-16H2,1-2H3,(H2,29,33)(H2,30,34)(H3,27,31,35,37)(H3,28,32,36,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.390	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