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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Somatostatin receptor type 2' and Ligand = 'BDBM50103430'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50103430
PNG
(6-Amino-2-(3-(1H-indol-3-yl)-2-{[4-(2-oxo-2,3-dihy...)
Show SMILES C[C@H]([C@@H](NC(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)c1c[nH]c2ccccc12
Show InChI InChI=1S/C35H47N7O5/c1-22(25-21-37-26-12-6-5-11-24(25)26)30(31(43)38-28(14-9-10-18-36)32(44)47-35(2,3)4)40-33(45)41-19-16-23(17-20-41)42-29-15-8-7-13-27(29)39-34(42)46/h5-8,11-13,15,21-23,28,30,37H,9-10,14,16-20,36H2,1-4H3,(H,38,43)(H,39,46)(H,40,45)/t22-,28-,30+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
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PDB
PubMed
0.0100n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibition of [125 I -Tyr]SRIF-14 binding to membranes isolated from CHO-K1 cells expressing each of the cloned human SRIF receptor (sst-2) subtypes


J Med Chem 44: 2990-3000 (2001)


BindingDB Entry DOI: 10.7270/Q2DB82JT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50103430
PNG
(6-Amino-2-(3-(1H-indol-3-yl)-2-{[4-(2-oxo-2,3-dihy...)
Show SMILES C[C@H]([C@@H](NC(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)c1c[nH]c2ccccc12
Show InChI InChI=1S/C35H47N7O5/c1-22(25-21-37-26-12-6-5-11-24(25)26)30(31(43)38-28(14-9-10-18-36)32(44)47-35(2,3)4)40-33(45)41-19-16-23(17-20-41)42-29-15-8-7-13-27(29)39-34(42)46/h5-8,11-13,15,21-23,28,30,37H,9-10,14,16-20,36H2,1-4H3,(H,38,43)(H,39,46)(H,40,45)/t22-,28-,30+/m0/s1
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
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PC sid
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PDB
0.0100n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50103430
PNG
(6-Amino-2-(3-(1H-indol-3-yl)-2-{[4-(2-oxo-2,3-dihy...)
Show SMILES C[C@H]([C@@H](NC(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)c1c[nH]c2ccccc12
Show InChI InChI=1S/C35H47N7O5/c1-22(25-21-37-26-12-6-5-11-24(25)26)30(31(43)38-28(14-9-10-18-36)32(44)47-35(2,3)4)40-33(45)41-19-16-23(17-20-41)42-29-15-8-7-13-27(29)39-34(42)46/h5-8,11-13,15,21-23,28,30,37H,9-10,14,16-20,36H2,1-4H3,(H,38,43)(H,39,46)(H,40,45)/t22-,28-,30+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
PubMed
0.0100n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Somatostatin receptor type 2 (hsst2)


J Med Chem 45: 5609-16 (2002)


BindingDB Entry DOI: 10.7270/Q270825W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)