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BDBM50254256 (5S)-6-[(1-naphthylmethyl)amino]-6-oxo-5-[(4R)-3-oxo-4-[(phenylacetyl)amino]-3,4,5,10-tetrahydroazepino[3,4-b]indol-2(1H)-yl]hexan-1-aminium trifluoroacetate::CHEMBL505888

SMILES: NCCCC[C@H](N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O)C(=O)NCc1cccc2ccccc12

InChI Key: InChIKey=XZZJKURIDQLUAX-CWTKIQHKSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50254256   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50254256
PNG
((5S)-6-[(1-naphthylmethyl)amino]-6-oxo-5-[(4R)-3-o...)
Show SMILES NCCCC[C@H](N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O)C(=O)NCc1cccc2ccccc12 |r|
Show InChI InChI=1S/C37H39N5O3/c38-20-9-8-19-34(36(44)39-23-27-15-10-14-26-13-4-5-16-28(26)27)42-24-33-30(29-17-6-7-18-31(29)40-33)22-32(37(42)45)41-35(43)21-25-11-2-1-3-12-25/h1-7,10-18,32,34,40H,8-9,19-24,38H2,(H,39,44)(H,41,43)/t32-,34+/m1/s1
KEGG

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PC sid
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Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Leu8, DTrp22, Tyr25]-somatostatin-28 from human recombinant sst4 receptor expressed in chinese hamster CCL39 cells


J Med Chem 52: 95-104 (2009)


Article DOI: 10.1021/jm801205x
BindingDB Entry DOI: 10.7270/Q27W6D3B
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50254256
PNG
((5S)-6-[(1-naphthylmethyl)amino]-6-oxo-5-[(4R)-3-o...)
Show SMILES NCCCC[C@H](N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O)C(=O)NCc1cccc2ccccc12 |r|
Show InChI InChI=1S/C37H39N5O3/c38-20-9-8-19-34(36(44)39-23-27-15-10-14-26-13-4-5-16-28(26)27)42-24-33-30(29-17-6-7-18-31(29)40-33)22-32(37(42)45)41-35(43)21-25-11-2-1-3-12-25/h1-7,10-18,32,34,40H,8-9,19-24,38H2,(H,39,44)(H,41,43)/t32-,34+/m1/s1
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n/an/a 3.5n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Leu8, DTrp22, Tyr25]-somatostatin-28 from human recombinant sst5 receptor expressed in chinese hamster CCL39 cells


J Med Chem 52: 95-104 (2009)


Article DOI: 10.1021/jm801205x
BindingDB Entry DOI: 10.7270/Q27W6D3B
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50254256
PNG
((5S)-6-[(1-naphthylmethyl)amino]-6-oxo-5-[(4R)-3-o...)
Show SMILES NCCCC[C@H](N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O)C(=O)NCc1cccc2ccccc12 |r|
Show InChI InChI=1S/C37H39N5O3/c38-20-9-8-19-34(36(44)39-23-27-15-10-14-26-13-4-5-16-28(26)27)42-24-33-30(29-17-6-7-18-31(29)40-33)22-32(37(42)45)41-35(43)21-25-11-2-1-3-12-25/h1-7,10-18,32,34,40H,8-9,19-24,38H2,(H,39,44)(H,41,43)/t32-,34+/m1/s1
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n/an/a 105n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Leu8, DTrp22, Tyr25]-somatostatin-28 from human recombinant sst3 receptor expressed in chinese hamster CCL39 cells


J Med Chem 52: 95-104 (2009)


Article DOI: 10.1021/jm801205x
BindingDB Entry DOI: 10.7270/Q27W6D3B
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50254256
PNG
((5S)-6-[(1-naphthylmethyl)amino]-6-oxo-5-[(4R)-3-o...)
Show SMILES NCCCC[C@H](N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O)C(=O)NCc1cccc2ccccc12 |r|
Show InChI InChI=1S/C37H39N5O3/c38-20-9-8-19-34(36(44)39-23-27-15-10-14-26-13-4-5-16-28(26)27)42-24-33-30(29-17-6-7-18-31(29)40-33)22-32(37(42)45)41-35(43)21-25-11-2-1-3-12-25/h1-7,10-18,32,34,40H,8-9,19-24,38H2,(H,39,44)(H,41,43)/t32-,34+/m1/s1
PDB

KEGG

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antibodypedia
GoogleScholar
AffyNet 
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PC sid
UniChem

Similars

Article
PubMed
n/an/a 215n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Leu8, DTrp22, Tyr25]-somatostatin-28 from human recombinant sst2 receptor expressed in chinese hamster CCL39 cells


J Med Chem 52: 95-104 (2009)


Article DOI: 10.1021/jm801205x
BindingDB Entry DOI: 10.7270/Q27W6D3B
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50254256
PNG
((5S)-6-[(1-naphthylmethyl)amino]-6-oxo-5-[(4R)-3-o...)
Show SMILES NCCCC[C@H](N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O)C(=O)NCc1cccc2ccccc12 |r|
Show InChI InChI=1S/C37H39N5O3/c38-20-9-8-19-34(36(44)39-23-27-15-10-14-26-13-4-5-16-28(26)27)42-24-33-30(29-17-6-7-18-31(29)40-33)22-32(37(42)45)41-35(43)21-25-11-2-1-3-12-25/h1-7,10-18,32,34,40H,8-9,19-24,38H2,(H,39,44)(H,41,43)/t32-,34+/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 387n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Leu8, DTrp22, Tyr25]-somatostatin-28 from human recombinant sst1 receptor expressed in chinese hamster CCL39 cells


J Med Chem 52: 95-104 (2009)


Article DOI: 10.1021/jm801205x
BindingDB Entry DOI: 10.7270/Q27W6D3B
More data for this
Ligand-Target Pair