Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Mas-related G-protein coupled receptor member X1' and Ligand = 'BDBM50412987'   

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
Mas-related G-protein coupled receptor member X1 (Homo sapiens (Human))	BDBM50412987 (CHEMBL475965) Show SMILES COc1ccc(cn1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(cc2=O)N2CCNCC2)c1C Show InChI InChI=1S/C29H30N6O3/c1-20-24(19-35-28(36)16-25(18-32-35)34-14-12-30-13-15-34)4-3-5-26(20)33-29(37)22-8-6-21(7-9-22)23-10-11-27(38-2)31-17-23/h3-11,16-18,30H,12-15,19H2,1-2H3,(H,33,37)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.30	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human MrgX1 receptor expressed in HEK293 cells assessed as intracellular calcium mobilization by FLIPR assay				J Med Chem 52: 818-25 (2009) Article DOI: 10.1021/jm800962k BindingDB Entry DOI: 10.7270/Q2R212MD
					More data for this Ligand-Target Pair
Mas-related G-protein coupled receptor member X1 (Mus musculus)	BDBM50412987 (CHEMBL475965) Show SMILES COc1ccc(cn1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(cc2=O)N2CCNCC2)c1C Show InChI InChI=1S/C29H30N6O3/c1-20-24(19-35-28(36)16-25(18-32-35)34-14-12-30-13-15-34)4-3-5-26(20)33-29(37)22-8-6-21(7-9-22)23-10-11-27(38-2)31-17-23/h3-11,16-18,30H,12-15,19H2,1-2H3,(H,33,37)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a
Johns Hopkins University Curated by ChEMBL					Assay Description Agonist activity at mouse MrgC11 transfected in HEK293 cells by FLIPR assay				Bioorg Med Chem 22: 5831-7 (2014) Article DOI: 10.1016/j.bmc.2014.09.025 BindingDB Entry DOI: 10.7270/Q27P92CV
					More data for this Ligand-Target Pair
Mas-related G-protein coupled receptor member X1 (Homo sapiens (Human))	BDBM50412987 (CHEMBL475965) Show SMILES COc1ccc(cn1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(cc2=O)N2CCNCC2)c1C Show InChI InChI=1S/C29H30N6O3/c1-20-24(19-35-28(36)16-25(18-32-35)34-14-12-30-13-15-34)4-3-5-26(20)33-29(37)22-8-6-21(7-9-22)23-10-11-27(38-2)31-17-23/h3-11,16-18,30H,12-15,19H2,1-2H3,(H,33,37)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	25	n/a	n/a	n/a	n/a
Johns Hopkins University Curated by ChEMBL					Assay Description Agonist activity at human MrgX1 transfected in HEK293 cells by FLIPR assay				Bioorg Med Chem 22: 5831-7 (2014) Article DOI: 10.1016/j.bmc.2014.09.025 BindingDB Entry DOI: 10.7270/Q27P92CV
					More data for this Ligand-Target Pair
Mas-related G-protein coupled receptor member X1 (Rattus norvegicus)	BDBM50412987 (CHEMBL475965) Show SMILES COc1ccc(cn1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(cc2=O)N2CCNCC2)c1C Show InChI InChI=1S/C29H30N6O3/c1-20-24(19-35-28(36)16-25(18-32-35)34-14-12-30-13-15-34)4-3-5-26(20)33-29(37)22-8-6-21(7-9-22)23-10-11-27(38-2)31-17-23/h3-11,16-18,30H,12-15,19H2,1-2H3,(H,33,37)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a
Johns Hopkins University Curated by ChEMBL					Assay Description Agonist activity at rat MrgX1 transfected in HEK293 cells by FLIPR assay				Bioorg Med Chem 22: 5831-7 (2014) Article DOI: 10.1016/j.bmc.2014.09.025 BindingDB Entry DOI: 10.7270/Q27P92CV
					More data for this Ligand-Target Pair