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BDBM50254247 (5S)-6-(benzylamino)-5-[(4R)-4-[(diphenylacetyl)amino]-3-oxo-3,4,5,10-tetrahydroazepino[3,4-b]indol-2(1H)-yl]-6-oxohexan-1-aminium trifluoroacetate::CHEMBL448713

SMILES: NCCCC[C@H](N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C1=O)C(=O)NCc1ccccc1

InChI Key: InChIKey=JAVIQCFYXIAUDS-OQBISYOISA-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 = 50254247   
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))
BDBM50254247
PNG
((5S)-6-(benzylamino)-5-[(4R)-4-[(diphenylacetyl)am...)
Show SMILES NCCCC[C@H](N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C1=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C39H41N5O3/c40-23-13-12-22-35(37(45)41-25-27-14-4-1-5-15-27)44-26-34-31(30-20-10-11-21-32(30)42-34)24-33(39(44)47)43-38(46)36(28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-11,14-21,33,35-36,42H,12-13,22-26,40H2,(H,41,45)(H,43,46)/t33-,35+/m1/s1
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PubMed
n/an/a 8.80n/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))
BDBM50254247
PNG
((5S)-6-(benzylamino)-5-[(4R)-4-[(diphenylacetyl)am...)
Show SMILES NCCCC[C@H](N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C1=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C39H41N5O3/c40-23-13-12-22-35(37(45)41-25-27-14-4-1-5-15-27)44-26-34-31(30-20-10-11-21-32(30)42-34)24-33(39(44)47)43-38(46)36(28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-11,14-21,33,35-36,42H,12-13,22-26,40H2,(H,41,45)(H,43,46)/t33-,35+/m1/s1
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Article
PubMed
n/an/a 247n/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))
BDBM50254247
PNG
((5S)-6-(benzylamino)-5-[(4R)-4-[(diphenylacetyl)am...)
Show SMILES NCCCC[C@H](N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C1=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C39H41N5O3/c40-23-13-12-22-35(37(45)41-25-27-14-4-1-5-15-27)44-26-34-31(30-20-10-11-21-32(30)42-34)24-33(39(44)47)43-38(46)36(28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-11,14-21,33,35-36,42H,12-13,22-26,40H2,(H,41,45)(H,43,46)/t33-,35+/m1/s1
KEGG

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antibodypedia
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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/a 14n/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))
BDBM50254247
PNG
((5S)-6-(benzylamino)-5-[(4R)-4-[(diphenylacetyl)am...)
Show SMILES NCCCC[C@H](N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C1=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C39H41N5O3/c40-23-13-12-22-35(37(45)41-25-27-14-4-1-5-15-27)44-26-34-31(30-20-10-11-21-32(30)42-34)24-33(39(44)47)43-38(46)36(28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-11,14-21,33,35-36,42H,12-13,22-26,40H2,(H,41,45)(H,43,46)/t33-,35+/m1/s1
Reactome pathway
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UniChem

Similars

Article
PubMed
n/an/a>500n/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))
BDBM50254247
PNG
((5S)-6-(benzylamino)-5-[(4R)-4-[(diphenylacetyl)am...)
Show SMILES NCCCC[C@H](N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C1=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C39H41N5O3/c40-23-13-12-22-35(37(45)41-25-27-14-4-1-5-15-27)44-26-34-31(30-20-10-11-21-32(30)42-34)24-33(39(44)47)43-38(46)36(28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-11,14-21,33,35-36,42H,12-13,22-26,40H2,(H,41,45)(H,43,46)/t33-,35+/m1/s1
PDB

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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 242n/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