Found 8 hits of Enzyme Inhibition Constant Data 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)) | BDBM50158330
((+/-)isobutyl 8-chloro-2-((4-(diethylamino)phenyl)...)Show SMILES CCN(CC)c1ccc(NC(=O)C2(CCc3cccc(Cl)c3C2)NC(=O)OCC(C)C)cc1 Show InChI InChI=1S/C26H34ClN3O3/c1-5-30(6-2)21-12-10-20(11-13-21)28-24(31)26(29-25(32)33-17-18(3)4)15-14-19-8-7-9-23(27)22(19)16-26/h7-13,18H,5-6,14-17H2,1-4H3,(H,28,31)(H,29,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to GHSR |
J Med Chem 47: 6655-7 (2004)
Article DOI: 10.1021/jm0491750 BindingDB Entry DOI: 10.7270/Q237786M |
More data for this Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50158329
((+/-)-isobutyl 2-({[4-(diethylamino)phenyl]amino}c...)Show SMILES CCN(CC)c1ccc(NC(=O)C2(CCc3ccccc3C2)NC(=O)OCC(C)C)cc1 Show InChI InChI=1S/C26H35N3O3/c1-5-29(6-2)23-13-11-22(12-14-23)27-24(30)26(28-25(31)32-18-19(3)4)16-15-20-9-7-8-10-21(20)17-26/h7-14,19H,5-6,15-18H2,1-4H3,(H,27,30)(H,28,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to GHSR |
J Med Chem 47: 6655-7 (2004)
Article DOI: 10.1021/jm0491750 BindingDB Entry DOI: 10.7270/Q237786M |
More data for this Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50158327
((+/-)isobutyl 2-((4-(diethylamino)phenyl)carbamoyl...)Show SMILES CCN(CC)c1ccc(NC(=O)C2(CCc3cccc(OC)c3C2)N(C)C(=O)OCC(C)C)cc1 Show InChI InChI=1S/C28H39N3O4/c1-7-31(8-2)23-14-12-22(13-15-23)29-26(32)28(30(5)27(33)35-19-20(3)4)17-16-21-10-9-11-25(34-6)24(21)18-28/h9-15,20H,7-8,16-19H2,1-6H3,(H,29,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to GHSR |
J Med Chem 47: 6655-7 (2004)
Article DOI: 10.1021/jm0491750 BindingDB Entry DOI: 10.7270/Q237786M |
More data for this Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50158327
((+/-)isobutyl 2-((4-(diethylamino)phenyl)carbamoyl...)Show SMILES CCN(CC)c1ccc(NC(=O)C2(CCc3cccc(OC)c3C2)N(C)C(=O)OCC(C)C)cc1 Show InChI InChI=1S/C28H39N3O4/c1-7-31(8-2)23-14-12-22(13-15-23)29-26(32)28(30(5)27(33)35-19-20(3)4)17-16-21-10-9-11-25(34-6)24(21)18-28/h9-15,20H,7-8,16-19H2,1-6H3,(H,29,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Antagonist activity at GHSR expressed in CHOK cells assessed as inhibition of ghrelin-induced increase in intracellular calcium level |
J Med Chem 47: 6655-7 (2004)
Article DOI: 10.1021/jm0491750 BindingDB Entry DOI: 10.7270/Q237786M |
More data for this Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50158328
((+/-)-tert-butyl 2-({[4-(diethylamino)phenyl]amino...)Show SMILES CCN(CC)c1ccc(NC(=O)C2(CCc3ccccc3C2)NC(=O)OC(C)(C)C)cc1 Show InChI InChI=1S/C26H35N3O3/c1-6-29(7-2)22-14-12-21(13-15-22)27-23(30)26(28-24(31)32-25(3,4)5)17-16-19-10-8-9-11-20(19)18-26/h8-15H,6-7,16-18H2,1-5H3,(H,27,30)(H,28,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to GHSR |
J Med Chem 47: 6655-7 (2004)
Article DOI: 10.1021/jm0491750 BindingDB Entry DOI: 10.7270/Q237786M |
More data for this Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50153535
(3-(2,6-Dichloro-phenyl)-5-methyl-isoxazole-4-carbo...)Show SMILES CCN(CC)c1ccc(NC(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)cc1 |(7.8,-1.79,;6.33,-1.35,;5.95,.15,;7.07,1.22,;6.73,2.7,;4.47,.6,;3.4,-.45,;1.89,-.05,;1.51,1.42,;.02,1.81,;-1.09,.71,;-.67,-.78,;-2.57,1.11,;-2.95,2.6,;-2.02,3.81,;-4.5,2.67,;-5.04,1.23,;-3.84,.26,;-3.76,-1.28,;-2.39,-1.98,;-.84,-1.98,;-2.32,-3.53,;-3.58,-4.37,;-4.97,-3.67,;-5.06,-2.12,;-6.44,-1.45,;2.6,2.51,;4.05,2.12,)| Show InChI InChI=1S/C21H21Cl2N3O2/c1-4-26(5-2)15-11-9-14(10-12-15)24-21(27)18-13(3)28-25-20(18)19-16(22)7-6-8-17(19)23/h6-12H,4-5H2,1-3H3,(H,24,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to GHSR |
J Med Chem 47: 6655-7 (2004)
Article DOI: 10.1021/jm0491750 BindingDB Entry DOI: 10.7270/Q237786M |
More data for this Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50158331
((+/-)-1,2,3,4-tetrahydro-naphthalene-2-carboxylic ...)Show InChI InChI=1S/C21H26N2O/c1-3-23(4-2)20-13-11-19(12-14-20)22-21(24)18-10-9-16-7-5-6-8-17(16)15-18/h5-8,11-14,18H,3-4,9-10,15H2,1-2H3,(H,22,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to GHSR |
J Med Chem 47: 6655-7 (2004)
Article DOI: 10.1021/jm0491750 BindingDB Entry DOI: 10.7270/Q237786M |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50158327
((+/-)isobutyl 2-((4-(diethylamino)phenyl)carbamoyl...)Show SMILES CCN(CC)c1ccc(NC(=O)C2(CCc3cccc(OC)c3C2)N(C)C(=O)OCC(C)C)cc1 Show InChI InChI=1S/C28H39N3O4/c1-7-31(8-2)23-14-12-22(13-15-23)29-26(32)28(30(5)27(33)35-19-20(3)4)17-16-21-10-9-11-25(34-6)24(21)18-28/h9-15,20H,7-8,16-19H2,1-6H3,(H,29,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of hERG receptor |
J Med Chem 47: 6655-7 (2004)
Article DOI: 10.1021/jm0491750 BindingDB Entry DOI: 10.7270/Q237786M |
More data for this Ligand-Target Pair | |