Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Growth hormone secretagogue receptor type 1' and Ligand = 'BDBM50165585'   

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
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50165585 (CHEMBL3800172) Show SMILES COc1ccc(Cn2c(nnc2C(Cc2c[nH]c3ccccc23)NC(=O)C2CNCCO2)C(Cc2c[nH]c3ccccc23)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(C)=O)cc1 Show InChI InChI=1S/C49H62N10O6/c1-29(2)21-42(53-31(5)60)47(61)56-43(22-30(3)4)48(62)54-40(23-33-25-51-38-13-9-7-11-36(33)38)45-57-58-46(59(45)28-32-15-17-35(64-6)18-16-32)41(55-49(63)44-27-50-19-20-65-44)24-34-26-52-39-14-10-8-12-37(34)39/h7-18,25-26,29-30,40-44,50-52H,19-24,27-28H2,1-6H3,(H,53,60)(H,54,62)(H,55,63)(H,56,61)/t40-,41-,42+,43?,44+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	-41.7	n/a	n/a	n/a	n/a	n/a	n/a	25
Universit£ de Montpellier Curated by ChEMBL					Assay Description Competitive binding affinity to human SNAP-tagged GHS-R1a expressed in HEK293T cells incubated at 4 degC for 3 hrs or at room temperature for 1 hr by...				Bioorg Med Chem Lett 26: 2408-12 (2016) Article DOI: 10.1016/j.bmcl.2016.04.003 BindingDB Entry DOI: 10.7270/Q2J9688V
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50165585 (CHEMBL3800172) Show SMILES COc1ccc(Cn2c(nnc2C(Cc2c[nH]c3ccccc23)NC(=O)C2CNCCO2)C(Cc2c[nH]c3ccccc23)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(C)=O)cc1 Show InChI InChI=1S/C49H62N10O6/c1-29(2)21-42(53-31(5)60)47(61)56-43(22-30(3)4)48(62)54-40(23-33-25-51-38-13-9-7-11-36(33)38)45-57-58-46(59(45)28-32-15-17-35(64-6)18-16-32)41(55-49(63)44-27-50-19-20-65-44)24-34-26-52-39-14-10-8-12-37(34)39/h7-18,25-26,29-30,40-44,50-52H,19-24,27-28H2,1-6H3,(H,53,60)(H,54,62)(H,55,63)(H,56,61)/t40-,41-,42+,43?,44+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	60	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Agonist activity at human GHS-R1a expressed in HEK293T cells after 45 mins by HTRF-based IP3 turnover assay				Bioorg Med Chem Lett 26: 2408-12 (2016) Article DOI: 10.1016/j.bmcl.2016.04.003 BindingDB Entry DOI: 10.7270/Q2J9688V
					More data for this Ligand-Target Pair