Found 2 hits Enz. Inhib. hit(s) with Target = 'Somatostatin receptor type 3' and Ligand = 'BDBM50352481' 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 |
Somatostatin receptor type 3
(Homo sapiens (Human)) | BDBM50352481
(CHEMBL1824050)Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N |r| Show InChI InChI=1S/C74H103N17O20S2/c1-40(77)62(98)79-36-59(97)80-56-38-112-113-39-57(74(110)111)89-70(106)55(37-92)88-73(109)61(42(3)94)91-69(105)53(33-45-21-11-6-12-22-45)87-72(108)60(41(2)93)90-64(100)49(24-14-16-30-76)81-65(101)52(34-46-25-27-47(95)28-26-46)84-66(102)50(31-43-17-7-4-8-18-43)83-67(103)51(32-44-19-9-5-10-20-44)85-68(104)54(35-58(78)96)86-63(99)48(82-71(56)107)23-13-15-29-75/h4-12,17-22,25-28,40-42,48-57,60-61,92-95H,13-16,23-24,29-39,75-77H2,1-3H3,(H2,78,96)(H,79,98)(H,80,97)(H,81,101)(H,82,107)(H,83,103)(H,84,102)(H,85,104)(H,86,99)(H,87,108)(H,88,109)(H,89,106)(H,90,100)(H,91,105)(H,110,111)/t40-,41+,42+,48-,49-,50-,51-,52+,53-,54-,55-,56-,57-,60-,61-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG 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 |
Salk Institute
Curated by ChEMBL
| Assay Description Displacement of 125I-[LTT]-SRIF-28 from human sst3 receptor in CCL39 cells after 2 hrs by autoradiography |
J Med Chem 54: 5981-7 (2011)
Article DOI: 10.1021/jm200307v BindingDB Entry DOI: 10.7270/Q2BV7H1N |
More data for this Ligand-Target Pair | |
Somatostatin receptor type 3
(Homo sapiens (Human)) | BDBM50352481
(CHEMBL1824050)Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N |r| Show InChI InChI=1S/C74H103N17O20S2/c1-40(77)62(98)79-36-59(97)80-56-38-112-113-39-57(74(110)111)89-70(106)55(37-92)88-73(109)61(42(3)94)91-69(105)53(33-45-21-11-6-12-22-45)87-72(108)60(41(2)93)90-64(100)49(24-14-16-30-76)81-65(101)52(34-46-25-27-47(95)28-26-46)84-66(102)50(31-43-17-7-4-8-18-43)83-67(103)51(32-44-19-9-5-10-20-44)85-68(104)54(35-58(78)96)86-63(99)48(82-71(56)107)23-13-15-29-75/h4-12,17-22,25-28,40-42,48-57,60-61,92-95H,13-16,23-24,29-39,75-77H2,1-3H3,(H2,78,96)(H,79,98)(H,80,97)(H,81,101)(H,82,107)(H,83,103)(H,84,102)(H,85,104)(H,86,99)(H,87,108)(H,88,109)(H,89,106)(H,90,100)(H,91,105)(H,110,111)/t40-,41+,42+,48-,49-,50-,51-,52+,53-,54-,55-,56-,57-,60-,61-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.870 | n/a | n/a | n/a | n/a |
Salk Institute
Curated by ChEMBL
| Assay Description Agonist activity at human sst3 receptor expressed in CCL39 cells after 5 hrs by luciferase reporter gene assay |
J Med Chem 54: 5981-7 (2011)
Article DOI: 10.1021/jm200307v BindingDB Entry DOI: 10.7270/Q2BV7H1N |
More data for this Ligand-Target Pair | |