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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Somatostatin receptor type 2' and Ligand = 'BDBM50370052'   
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))
BDBM50370052
PNG
(CHEMBL1794046)
Show SMILES CNC(=O)C(NC(=O)[C@H]1CSSC[C@H](N(C)C(=O)C(N)Cc2ccc(Cl)cc2)C(=O)NC(Cc2cccnc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]([C@H](C)O)C(=O)N1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C61H73ClN12O9S2/c1-36(75)52-60(82)71-49(57(79)73-53(59(81)65-2)51(39-16-6-4-7-17-39)40-18-8-5-9-19-40)34-84-85-35-50(74(3)61(83)44(64)29-37-23-25-42(62)26-24-37)58(80)70-47(30-38-15-14-28-66-32-38)55(77)69-48(31-41-33-67-45-21-11-10-20-43(41)45)56(78)68-46(54(76)72-52)22-12-13-27-63/h4-11,14-21,23-26,28,32-33,36,44,46-53,67,75H,12-13,22,27,29-31,34-35,63-64H2,1-3H3,(H,65,81)(H,68,78)(H,69,77)(H,70,80)(H,71,82)(H,72,76)(H,73,79)/t36-,44?,46-,47?,48+,49+,50-,52+,53?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
117n/an/an/an/an/an/an/an/a



Tulane University Health Sciences Center

Curated by ChEMBL


Assay Description
Ability to displace [125 I]labelled Tyr11-somatostatin from human hsst-2 receptor expressed on CHO cells


J Med Chem 44: 1305-11 (2001)


BindingDB Entry DOI: 10.7270/Q2Z038VZ
More data for this
Ligand-Target Pair