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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Somatostatin receptor type 3' and Ligand = 'BDBM50077269'   
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 3


(Homo sapiens (Human))
BDBM50077269
PNG
(CHEMBL385746 | H-Cpa-cyclo[DCys-2Pal-DTrp-Lys-Thr-...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccn2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C57H67ClN12O9S2/c1-32(71)49-57(79)69-48(55(77)65-44(50(61)72)26-34-16-19-35-10-2-3-11-36(35)24-34)31-81-80-30-47(68-51(73)41(60)25-33-17-20-38(58)21-18-33)56(78)67-46(28-39-12-7-9-23-62-39)54(76)66-45(27-37-29-63-42-14-5-4-13-40(37)42)53(75)64-43(52(74)70-49)15-6-8-22-59/h2-5,7,9-14,16-21,23-24,29,32,41,43-49,63,71H,6,8,15,22,25-28,30-31,59-60H2,1H3,(H2,61,72)(H,64,75)(H,65,77)(H,66,76)(H,67,78)(H,68,73)(H,69,79)(H,70,74)/t32-,41+,43+,44+,45-,46-,47+,48+,49+/m1/s1
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
53n/an/an/an/an/an/an/an/a



Tulane University School of Medicine

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against human Somatostatin receptor type 3


J Med Chem 42: 1863-71 (1999)


Article DOI: 10.1021/jm9806289
BindingDB Entry DOI: 10.7270/Q2XW4J03
More data for this
Ligand-Target Pair