Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histamine H2 receptor' and Ligand = 'BDBM50394699'   

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))	BDBM50394699 (CHEMBL2165631) Show SMILES Cc1nc(N)sc1CCCNC(=N)NC(=O)CCCCCCCC(=O)NC(=N)NCCCc1sc(N)nc1C Show InChI InChI=1S/C25H42N10O2S2/c1-16-18(38-24(28)32-16)10-8-14-30-22(26)34-20(36)12-6-4-3-5-7-13-21(37)35-23(27)31-15-9-11-19-17(2)33-25(29)39-19/h3-15H2,1-2H3,(H2,28,32)(H2,29,33)(H3,26,30,34,36)(H3,27,31,35,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.832	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))	BDBM50394699 (CHEMBL2165631) Show SMILES Cc1nc(N)sc1CCCNC(=N)NC(=O)CCCCCCCC(=O)NC(=N)NCCCc1sc(N)nc1C Show InChI InChI=1S/C25H42N10O2S2/c1-16-18(38-24(28)32-16)10-8-14-30-22(26)34-20(36)12-6-4-3-5-7-13-21(37)35-23(27)31-15-9-11-19-17(2)33-25(29)39-19/h3-15H2,1-2H3,(H2,28,32)(H2,29,33)(H3,26,30,34,36)(H3,27,31,35,37)	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	44.7	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))	BDBM50394699 (CHEMBL2165631) Show SMILES Cc1nc(N)sc1CCCNC(=N)NC(=O)CCCCCCCC(=O)NC(=N)NCCCc1sc(N)nc1C Show InChI InChI=1S/C25H42N10O2S2/c1-16-18(38-24(28)32-16)10-8-14-30-22(26)34-20(36)12-6-4-3-5-7-13-21(37)35-23(27)31-15-9-11-19-17(2)33-25(29)39-19/h3-15H2,1-2H3,(H2,28,32)(H2,29,33)(H3,26,30,34,36)(H3,27,31,35,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.75	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