Found 2 hits Enz. Inhib. hit(s) with Target = 'Somatostatin receptor type 2' and Ligand = 'BDBM50333669' 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 2
(Homo sapiens (Human)) | BDBM50333669
(CHEMBL1643384)Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)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](Cc2ccc(NN=C(Cc3cnc[nH]3)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC1=O)[C@@H](C)O)cc2)NC(=O)CNC(=O)[C@H](C)N |r,w:76.79| Show InChI InChI=1S/C84H110N22O17/c1-47(87)73(112)91-44-70(111)93-61-38-53-29-31-55(32-30-53)105-106-69(40-56-43-89-46-92-56)102-82(121)67(45-107)101-84(123)72(49(3)109)104-81(120)64(37-52-23-11-6-12-24-52)100-83(122)71(48(2)108)103-75(114)60(28-16-18-34-86)95-79(118)65(39-54-42-90-58-26-14-13-25-57(54)58)98-78(117)63(36-51-21-9-5-10-22-51)96-77(116)62(35-50-19-7-4-8-20-50)97-80(119)66(41-68(88)110)99-74(113)59(94-76(61)115)27-15-17-33-85/h4-14,19-26,29-32,42-43,46-49,59-67,71-72,90,105,107-109H,15-18,27-28,33-41,44-45,85-87H2,1-3H3,(H2,88,110)(H,89,92)(H,91,112)(H,93,111)(H,94,115)(H,95,118)(H,96,116)(H,97,119)(H,98,117)(H,99,113)(H,100,122)(H,101,123)(H,103,114)(H,104,120)(H,102,106,121)/t47-,48+,49+,59-,60-,61-,62-,63-,64-,65-,66-,67-,71-,72-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.10 | n/a | n/a | n/a | n/a | n/a | n/a |
The Weizmann Institute of Science
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr3]octreotide from sst2 receptor expressed in rat AR4-2J cells |
Bioorg Med Chem 19: 798-806 (2011)
Article DOI: 10.1016/j.bmc.2010.12.014
BindingDB Entry DOI: 10.7270/Q2QC03R1 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50333669
(CHEMBL1643384)Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)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](Cc2ccc(NN=C(Cc3cnc[nH]3)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC1=O)[C@@H](C)O)cc2)NC(=O)CNC(=O)[C@H](C)N |r,w:76.79| Show InChI InChI=1S/C84H110N22O17/c1-47(87)73(112)91-44-70(111)93-61-38-53-29-31-55(32-30-53)105-106-69(40-56-43-89-46-92-56)102-82(121)67(45-107)101-84(123)72(49(3)109)104-81(120)64(37-52-23-11-6-12-24-52)100-83(122)71(48(2)108)103-75(114)60(28-16-18-34-86)95-79(118)65(39-54-42-90-58-26-14-13-25-57(54)58)98-78(117)63(36-51-21-9-5-10-22-51)96-77(116)62(35-50-19-7-4-8-20-50)97-80(119)66(41-68(88)110)99-74(113)59(94-76(61)115)27-15-17-33-85/h4-14,19-26,29-32,42-43,46-49,59-67,71-72,90,105,107-109H,15-18,27-28,33-41,44-45,85-87H2,1-3H3,(H2,88,110)(H,89,92)(H,91,112)(H,93,111)(H,94,115)(H,95,118)(H,96,116)(H,97,119)(H,98,117)(H,99,113)(H,100,122)(H,101,123)(H,103,114)(H,104,120)(H,102,106,121)/t47-,48+,49+,59-,60-,61-,62-,63-,64-,65-,66-,67-,71-,72-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.10 | n/a | n/a | n/a | n/a | n/a | n/a |
The Weizmann Institute of Science
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr3]octreotide from sst2 receptor expressed in rat AR4-2J cells |
Bioorg Med Chem 19: 798-806 (2011)
Article DOI: 10.1016/j.bmc.2010.12.014
BindingDB Entry DOI: 10.7270/Q2QC03R1 |
More data for this
Ligand-Target Pair | |
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