Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histamine H2 receptor' and Ligand = 'BDBM50394703'   

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))	BDBM50394703 (CHEMBL2165628) Show SMILES Cc1nc(N)sc1CCCN=C(N)NC(=O)CCCCCCCCC(=O)NC(N)=NCCCc1cnc[nH]1 |w:10.10,29.30| Show InChI InChI=1S/C25H42N10O2S/c1-18-20(38-25(28)33-18)11-9-15-31-24(27)35-22(37)13-7-5-3-2-4-6-12-21(36)34-23(26)30-14-8-10-19-16-29-17-32-19/h16-17H,2-15H2,1H3,(H2,28,33)(H,29,32)(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	0.510	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 (Homo sapiens (Human))	BDBM50394703 (CHEMBL2165628) Show SMILES Cc1nc(N)sc1CCCN=C(N)NC(=O)CCCCCCCCC(=O)NC(N)=NCCCc1cnc[nH]1 |w:10.10,29.30| Show InChI InChI=1S/C25H42N10O2S/c1-18-20(38-25(28)33-18)11-9-15-31-24(27)35-22(37)13-7-5-3-2-4-6-12-21(36)34-23(26)30-14-8-10-19-16-29-17-32-19/h16-17H,2-15H2,1H3,(H2,28,33)(H,29,32)(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	7.59	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))	BDBM50394703 (CHEMBL2165628) Show SMILES Cc1nc(N)sc1CCCN=C(N)NC(=O)CCCCCCCCC(=O)NC(N)=NCCCc1cnc[nH]1 |w:10.10,29.30| Show InChI InChI=1S/C25H42N10O2S/c1-18-20(38-25(28)33-18)11-9-15-31-24(27)35-22(37)13-7-5-3-2-4-6-12-21(36)34-23(26)30-14-8-10-19-16-29-17-32-19/h16-17H,2-15H2,1H3,(H2,28,33)(H,29,32)(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	0.513	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