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BDBM50254259 (5S)-5-[(4R)-4-(acetylamino)-3-oxo-3,4,5,10-tetrahydroazepino[3,4-b]indol-2(1H)-yl]-6-oxo-6-[(2-phenylethyl)amino]hexan-1-aminium trifluoroacetate::CHEMBL442605

SMILES: CC(=O)N[C@@H]1Cc2c(CN([C@@H](CCCCN)C(=O)NCCc3ccccc3)C1=O)[nH]c1ccccc21

InChI Key: InChIKey=BZBKOTKAPXOMFC-LIIQWTDENA-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 = 50254259   
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))
BDBM50254259
PNG
((5S)-5-[(4R)-4-(acetylamino)-3-oxo-3,4,5,10-tetrah...)
Show SMILES CC(=O)N[C@@H]1Cc2c(CN([C@@H](CCCCN)C(=O)NCCc3ccccc3)C1=O)[nH]c1ccccc21
Show InChI InChI=1/C28H35N5O3/c1-19(34)31-24-17-22-21-11-5-6-12-23(21)32-25(22)18-33(28(24)36)26(13-7-8-15-29)27(35)30-16-14-20-9-3-2-4-10-20/h2-6,9-12,24,26,32H,7-8,13-18,29H2,1H3,(H,30,35)(H,31,34)/t24-,26+/s2
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7n/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))
BDBM50254259
PNG
((5S)-5-[(4R)-4-(acetylamino)-3-oxo-3,4,5,10-tetrah...)
Show SMILES CC(=O)N[C@@H]1Cc2c(CN([C@@H](CCCCN)C(=O)NCCc3ccccc3)C1=O)[nH]c1ccccc21
Show InChI InChI=1/C28H35N5O3/c1-19(34)31-24-17-22-21-11-5-6-12-23(21)32-25(22)18-33(28(24)36)26(13-7-8-15-29)27(35)30-16-14-20-9-3-2-4-10-20/h2-6,9-12,24,26,32H,7-8,13-18,29H2,1H3,(H,30,35)(H,31,34)/t24-,26+/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.560n/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))
BDBM50254259
PNG
((5S)-5-[(4R)-4-(acetylamino)-3-oxo-3,4,5,10-tetrah...)
Show SMILES CC(=O)N[C@@H]1Cc2c(CN([C@@H](CCCCN)C(=O)NCCc3ccccc3)C1=O)[nH]c1ccccc21
Show InChI InChI=1/C28H35N5O3/c1-19(34)31-24-17-22-21-11-5-6-12-23(21)32-25(22)18-33(28(24)36)26(13-7-8-15-29)27(35)30-16-14-20-9-3-2-4-10-20/h2-6,9-12,24,26,32H,7-8,13-18,29H2,1H3,(H,30,35)(H,31,34)/t24-,26+/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 515n/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))
BDBM50254259
PNG
((5S)-5-[(4R)-4-(acetylamino)-3-oxo-3,4,5,10-tetrah...)
Show SMILES CC(=O)N[C@@H]1Cc2c(CN([C@@H](CCCCN)C(=O)NCCc3ccccc3)C1=O)[nH]c1ccccc21
Show InChI InChI=1/C28H35N5O3/c1-19(34)31-24-17-22-21-11-5-6-12-23(21)32-25(22)18-33(28(24)36)26(13-7-8-15-29)27(35)30-16-14-20-9-3-2-4-10-20/h2-6,9-12,24,26,32H,7-8,13-18,29H2,1H3,(H,30,35)(H,31,34)/t24-,26+/s2
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/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))
BDBM50254259
PNG
((5S)-5-[(4R)-4-(acetylamino)-3-oxo-3,4,5,10-tetrah...)
Show SMILES CC(=O)N[C@@H]1Cc2c(CN([C@@H](CCCCN)C(=O)NCCc3ccccc3)C1=O)[nH]c1ccccc21
Show InChI InChI=1/C28H35N5O3/c1-19(34)31-24-17-22-21-11-5-6-12-23(21)32-25(22)18-33(28(24)36)26(13-7-8-15-29)27(35)30-16-14-20-9-3-2-4-10-20/h2-6,9-12,24,26,32H,7-8,13-18,29H2,1H3,(H,30,35)(H,31,34)/t24-,26+/s2
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 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