Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50035146   

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))	BDBM50049478 (1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...) Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1 Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human Growth hormone secretagogue receptor type 1 using competitive binding assay with radiolabeled [35S]-MK-0677 expressed ...				Bioorg Med Chem Lett 11: 1955-7 (2001) BindingDB Entry DOI: 10.7270/Q2DF6RR2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50102233 (1N-[1-benzyloxymethyl-2-[1-methylsulfonylspiro[2,3...) Show SMILES CS(=O)(=O)N1CC2(CCN(CC2)C(=O)[C@@H](COCc2ccccc2)NC(=O)[C@H](CO)NC(=O)CN)c2ccccc12 Show InChI InChI=1S/C28H37N5O7S/c1-41(38,39)33-19-28(21-9-5-6-10-24(21)33)11-13-32(14-12-28)27(37)23(18-40-17-20-7-3-2-4-8-20)31-26(36)22(16-34)30-25(35)15-29/h2-10,22-23,34H,11-19,29H2,1H3,(H,30,35)(H,31,36)/t22-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human Growth hormone secretagogue receptor type 1 using competitive binding assay with radiolabeled [35S]-MK-0677 expressed ...				Bioorg Med Chem Lett 11: 1955-7 (2001) BindingDB Entry DOI: 10.7270/Q2DF6RR2
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50102236 (2-[1-aminomethylcarboxamido-2-hydroxy-(1S)-ethylca...) Show SMILES CCCCCCCC(=O)OC[C@@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1 Show InChI InChI=1S/C29H45N5O8S/c1-3-4-5-6-7-12-26(37)42-19-23(32-27(38)22(18-35)31-25(36)17-30)28(39)33-15-13-29(14-16-33)20-34(43(2,40)41)24-11-9-8-10-21(24)29/h8-11,22-23,35H,3-7,12-20,30H2,1-2H3,(H,31,36)(H,32,38)/t22-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	128	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human Growth hormone secretagogue receptor type 1 using competitive binding assay with radiolabeled [35S]-MK-0677 expressed ...				Bioorg Med Chem Lett 11: 1955-7 (2001) BindingDB Entry DOI: 10.7270/Q2DF6RR2
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50102232 (1N-[1-benzyloxymethyl-2-[1-methylsulfonylspiro[2,3...) Show SMILES CS(=O)(=O)N1CC2(CCN(CC2)C(=O)[C@@H](COCc2ccccc2)NC(=O)[C@@H](N)CO)c2ccccc12 Show InChI InChI=1S/C26H34N4O6S/c1-37(34,35)30-18-26(20-9-5-6-10-23(20)30)11-13-29(14-12-26)25(33)22(28-24(32)21(27)15-31)17-36-16-19-7-3-2-4-8-19/h2-10,21-22,31H,11-18,27H2,1H3,(H,28,32)/t21-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	209	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human Growth hormone secretagogue receptor type 1 using competitive binding assay with radiolabeled [35S]-MK-0677 expressed ...				Bioorg Med Chem Lett 11: 1955-7 (2001) BindingDB Entry DOI: 10.7270/Q2DF6RR2
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50102234 (2-(1-amino-1-methylethylcarboxamido)-3-[1-methylsu...) Show SMILES CCCCCCCC(=O)OC[C@H](NC(=O)C(C)(C)N)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1 Show InChI InChI=1S/C28H44N4O6S/c1-5-6-7-8-9-14-24(33)38-19-22(30-26(35)27(2,3)29)25(34)31-17-15-28(16-18-31)20-32(39(4,36)37)23-13-11-10-12-21(23)28/h10-13,22H,5-9,14-20,29H2,1-4H3,(H,30,35)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	591	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human Growth hormone secretagogue receptor type 1 using competitive binding assay with radiolabeled [35S]-MK-0677 expressed ...				Bioorg Med Chem Lett 11: 1955-7 (2001) BindingDB Entry DOI: 10.7270/Q2DF6RR2
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50102238 (2-[1-[1-aminomethylcarboxamido-2-heptylcarbonyloxy...) Show SMILES CCCCCCCC(=O)OC[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C25H38N4O8/c1-2-3-4-5-9-12-22(32)37-16-20(27-21(31)14-26)24(34)29-19(15-30)23(33)28-18(25(35)36)13-17-10-7-6-8-11-17/h6-8,10-11,18-20,30H,2-5,9,12-16,26H2,1H3,(H,27,31)(H,28,33)(H,29,34)(H,35,36)/t18-,19-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	889	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human Growth hormone secretagogue receptor type 1 using competitive binding assay with radiolabeled [35S]-MK-0677 expressed ...				Bioorg Med Chem Lett 11: 1955-7 (2001) BindingDB Entry DOI: 10.7270/Q2DF6RR2
					More data for this Ligand-Target Pair