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BDBM50096817 (S)-6-Amino-2-((S)-3-(1H-indol-3-yl)-2-{[1-(propane-2-sulfonyl)-piperidine-4-carbonyl]-amino}-butyrylamino)-hexanoic acid tert-butyl ester::CHEMBL132658

SMILES: CC(C)S(=O)(=O)N1CCC(CC1)C(=O)NC([C@@H](C)c1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C

InChI Key: InChIKey=WNWXKXRXXZUWLW-HNJDVHBFSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50096817   
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 2


(Homo sapiens (Human))
BDBM50096817
PNG
((S)-6-Amino-2-((S)-3-(1H-indol-3-yl)-2-{[1-(propan...)
Show SMILES CC(C)S(=O)(=O)N1CCC(CC1)C(=O)NC([C@@H](C)c1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C
Show InChI InChI=1S/C31H49N5O6S/c1-20(2)43(40,41)36-17-14-22(15-18-36)28(37)35-27(21(3)24-19-33-25-12-8-7-11-23(24)25)29(38)34-26(13-9-10-16-32)30(39)42-31(4,5)6/h7-8,11-12,19-22,26-27,33H,9-10,13-18,32H2,1-6H3,(H,34,38)(H,35,37)/t21-,26-,27?/m0/s1
PDB

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PC cid
PC sid
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Similars

PubMed
120n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of the compound to Somatostatin receptor type 2 was determined


Bioorg Med Chem Lett 11: 415-7 (2001)


BindingDB Entry DOI: 10.7270/Q2474949
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50096817
PNG
((S)-6-Amino-2-((S)-3-(1H-indol-3-yl)-2-{[1-(propan...)
Show SMILES CC(C)S(=O)(=O)N1CCC(CC1)C(=O)NC([C@@H](C)c1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C
Show InChI InChI=1S/C31H49N5O6S/c1-20(2)43(40,41)36-17-14-22(15-18-36)28(37)35-27(21(3)24-19-33-25-12-8-7-11-23(24)25)29(38)34-26(13-9-10-16-32)30(39)42-31(4,5)6/h7-8,11-12,19-22,26-27,33H,9-10,13-18,32H2,1-6H3,(H,34,38)(H,35,37)/t21-,26-,27?/m0/s1
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antibodypedia
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PC cid
PC sid
UniChem

Similars

PubMed
3.75E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of the compound to hsst3 was determined


Bioorg Med Chem Lett 11: 415-7 (2001)


BindingDB Entry DOI: 10.7270/Q2474949
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50096817
PNG
((S)-6-Amino-2-((S)-3-(1H-indol-3-yl)-2-{[1-(propan...)
Show SMILES CC(C)S(=O)(=O)N1CCC(CC1)C(=O)NC([C@@H](C)c1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C
Show InChI InChI=1S/C31H49N5O6S/c1-20(2)43(40,41)36-17-14-22(15-18-36)28(37)35-27(21(3)24-19-33-25-12-8-7-11-23(24)25)29(38)34-26(13-9-10-16-32)30(39)42-31(4,5)6/h7-8,11-12,19-22,26-27,33H,9-10,13-18,32H2,1-6H3,(H,34,38)(H,35,37)/t21-,26-,27?/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of the compound to hsst5 was determined


Bioorg Med Chem Lett 11: 415-7 (2001)


BindingDB Entry DOI: 10.7270/Q2474949
More data for this
Ligand-Target Pair