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BDBM50254243 (5S)-6-(benzylamino)-6-oxo-5-[(4R)-3-oxo-4-[(3-phenylpropanoyl)amino]-3,4,5,10-tetrahydroazepino[3,4-b]indol-2(1H)-yl]hexan-1-aminium trifluoroacetate::CHEMBL448026

SMILES: NCCCC[C@H](N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)CCc2ccccc2)C1=O)C(=O)NCc1ccccc1

InChI Key: InChIKey=GGYYGVOSHKQLBY-VEEOACQBSA-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 = 50254243   
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 5


(Homo sapiens (Human))
BDBM50254243
PNG
((5S)-6-(benzylamino)-6-oxo-5-[(4R)-3-oxo-4-[(3-phe...)
Show SMILES NCCCC[C@H](N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)CCc2ccccc2)C1=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C34H39N5O3/c35-20-10-9-17-31(33(41)36-22-25-13-5-2-6-14-25)39-23-30-27(26-15-7-8-16-28(26)37-30)21-29(34(39)42)38-32(40)19-18-24-11-3-1-4-12-24/h1-8,11-16,29,31,37H,9-10,17-23,35H2,(H,36,41)(H,38,40)/t29-,31+/m1/s1
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Article
PubMed
n/an/a 3.40n/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 1


(Homo sapiens (Human))
BDBM50254243
PNG
((5S)-6-(benzylamino)-6-oxo-5-[(4R)-3-oxo-4-[(3-phe...)
Show SMILES NCCCC[C@H](N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)CCc2ccccc2)C1=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C34H39N5O3/c35-20-10-9-17-31(33(41)36-22-25-13-5-2-6-14-25)39-23-30-27(26-15-7-8-16-28(26)37-30)21-29(34(39)42)38-32(40)19-18-24-11-3-1-4-12-24/h1-8,11-16,29,31,37H,9-10,17-23,35H2,(H,36,41)(H,38,40)/t29-,31+/m1/s1
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Article
PubMed
n/an/a 54n/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
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50254243
PNG
((5S)-6-(benzylamino)-6-oxo-5-[(4R)-3-oxo-4-[(3-phe...)
Show SMILES NCCCC[C@H](N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)CCc2ccccc2)C1=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C34H39N5O3/c35-20-10-9-17-31(33(41)36-22-25-13-5-2-6-14-25)39-23-30-27(26-15-7-8-16-28(26)37-30)21-29(34(39)42)38-32(40)19-18-24-11-3-1-4-12-24/h1-8,11-16,29,31,37H,9-10,17-23,35H2,(H,36,41)(H,38,40)/t29-,31+/m1/s1
KEGG

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.10n/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 3


(Homo sapiens (Human))
BDBM50254243
PNG
((5S)-6-(benzylamino)-6-oxo-5-[(4R)-3-oxo-4-[(3-phe...)
Show SMILES NCCCC[C@H](N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)CCc2ccccc2)C1=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C34H39N5O3/c35-20-10-9-17-31(33(41)36-22-25-13-5-2-6-14-25)39-23-30-27(26-15-7-8-16-28(26)37-30)21-29(34(39)42)38-32(40)19-18-24-11-3-1-4-12-24/h1-8,11-16,29,31,37H,9-10,17-23,35H2,(H,36,41)(H,38,40)/t29-,31+/m1/s1
Reactome pathway
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PC sid
UniChem

Similars

Article
PubMed
n/an/a 153n/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))
BDBM50254243
PNG
((5S)-6-(benzylamino)-6-oxo-5-[(4R)-3-oxo-4-[(3-phe...)
Show SMILES NCCCC[C@H](N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)CCc2ccccc2)C1=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C34H39N5O3/c35-20-10-9-17-31(33(41)36-22-25-13-5-2-6-14-25)39-23-30-27(26-15-7-8-16-28(26)37-30)21-29(34(39)42)38-32(40)19-18-24-11-3-1-4-12-24/h1-8,11-16,29,31,37H,9-10,17-23,35H2,(H,36,41)(H,38,40)/t29-,31+/m1/s1
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/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