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BDBM50254241 (S)-6-amino-N-benzyl-2-((R)-4-(3,3-diphenylpropanamido)-3-oxo-4,5-dihydroazepino[3,4-b]indol-2(1H,3H,10H)-yl)hexanamide 2,2,2-trifluoroacetate::CHEMBL453938

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

InChI Key: InChIKey=HBLIGSJPLIFUFI-BZFILIQBSA-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 = 50254241   
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))
BDBM50254241
PNG
((S)-6-amino-N-benzyl-2-((R)-4-(3,3-diphenylpropana...)
Show SMILES NCCCC[C@H](N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)CC(c2ccccc2)c2ccccc2)C1=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C40H43N5O3/c41-23-13-12-22-37(39(47)42-26-28-14-4-1-5-15-28)45-27-36-33(31-20-10-11-21-34(31)43-36)24-35(40(45)48)44-38(46)25-32(29-16-6-2-7-17-29)30-18-8-3-9-19-30/h1-11,14-21,32,35,37,43H,12-13,22-27,41H2,(H,42,47)(H,44,46)/t35-,37+/m1/s1
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Article
PubMed
n/an/a 8n/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))
BDBM50254241
PNG
((S)-6-amino-N-benzyl-2-((R)-4-(3,3-diphenylpropana...)
Show SMILES NCCCC[C@H](N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)CC(c2ccccc2)c2ccccc2)C1=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C40H43N5O3/c41-23-13-12-22-37(39(47)42-26-28-14-4-1-5-15-28)45-27-36-33(31-20-10-11-21-34(31)43-36)24-35(40(45)48)44-38(46)25-32(29-16-6-2-7-17-29)30-18-8-3-9-19-30/h1-11,14-21,32,35,37,43H,12-13,22-27,41H2,(H,42,47)(H,44,46)/t35-,37+/m1/s1
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Article
PubMed
n/an/a 89n/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))
BDBM50254241
PNG
((S)-6-amino-N-benzyl-2-((R)-4-(3,3-diphenylpropana...)
Show SMILES NCCCC[C@H](N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)CC(c2ccccc2)c2ccccc2)C1=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C40H43N5O3/c41-23-13-12-22-37(39(47)42-26-28-14-4-1-5-15-28)45-27-36-33(31-20-10-11-21-34(31)43-36)24-35(40(45)48)44-38(46)25-32(29-16-6-2-7-17-29)30-18-8-3-9-19-30/h1-11,14-21,32,35,37,43H,12-13,22-27,41H2,(H,42,47)(H,44,46)/t35-,37+/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 73n/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))
BDBM50254241
PNG
((S)-6-amino-N-benzyl-2-((R)-4-(3,3-diphenylpropana...)
Show SMILES NCCCC[C@H](N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)CC(c2ccccc2)c2ccccc2)C1=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C40H43N5O3/c41-23-13-12-22-37(39(47)42-26-28-14-4-1-5-15-28)45-27-36-33(31-20-10-11-21-34(31)43-36)24-35(40(45)48)44-38(46)25-32(29-16-6-2-7-17-29)30-18-8-3-9-19-30/h1-11,14-21,32,35,37,43H,12-13,22-27,41H2,(H,42,47)(H,44,46)/t35-,37+/m1/s1
Reactome pathway
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PC sid
UniChem

Similars

Article
PubMed
n/an/a 694n/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))
BDBM50254241
PNG
((S)-6-amino-N-benzyl-2-((R)-4-(3,3-diphenylpropana...)
Show SMILES NCCCC[C@H](N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)CC(c2ccccc2)c2ccccc2)C1=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C40H43N5O3/c41-23-13-12-22-37(39(47)42-26-28-14-4-1-5-15-28)45-27-36-33(31-20-10-11-21-34(31)43-36)24-35(40(45)48)44-38(46)25-32(29-16-6-2-7-17-29)30-18-8-3-9-19-30/h1-11,14-21,32,35,37,43H,12-13,22-27,41H2,(H,42,47)(H,44,46)/t35-,37+/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 103n/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