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BDBM50059093 2-{[10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionylamino)-16-benzyl-7-(1-hydroxy-ethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaaza-cycloicosane-4-carbonyl]-amino}-3-hydroxy-butyric acid::CHEMBL415860

SMILES: C[C@@H](O)[C@@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]([C@@H](C)O)C(=O)N1)C(O)=O

InChI Key: InChIKey=KEKAEHDXIJNAIJ-ARNWWDNFSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50059093   
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))
BDBM50059093
PNG
(2-{[10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propio...)
Show SMILES C[C@@H](O)[C@@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]([C@@H](C)O)C(=O)N1)C(O)=O
Show InChI InChI=1S/C49H64N10O11S2/c1-27(60)40-48(68)57-39(47(67)59-41(28(2)61)49(69)70)26-72-71-25-38(56-42(62)33(51)21-29-13-5-3-6-14-29)46(66)54-36(22-30-15-7-4-8-16-30)44(64)55-37(23-31-24-52-34-18-10-9-17-32(31)34)45(65)53-35(43(63)58-40)19-11-12-20-50/h3-10,13-18,24,27-28,33,35-41,52,60-61H,11-12,19-23,25-26,50-51H2,1-2H3,(H,53,65)(H,54,66)(H,55,64)(H,56,62)(H,57,68)(H,58,63)(H,59,67)(H,69,70)/t27-,28-,33+,35+,36+,37-,38+,39-,40-,41-/m1/s1
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Article
PubMed
n/an/a 0.770n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
compound was tested for the inhibition of human somatostatin receptor 5 (hSSTR5)


J Med Chem 40: 2252-8 (1997)


Article DOI: 10.1021/jm960851a
BindingDB Entry DOI: 10.7270/Q2BC3XPS
More data for this
Ligand-Target Pair
SSTR2


(MOUSE)
BDBM50059093
PNG
(2-{[10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propio...)
Show SMILES C[C@@H](O)[C@@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]([C@@H](C)O)C(=O)N1)C(O)=O
Show InChI InChI=1S/C49H64N10O11S2/c1-27(60)40-48(68)57-39(47(67)59-41(28(2)61)49(69)70)26-72-71-25-38(56-42(62)33(51)21-29-13-5-3-6-14-29)46(66)54-36(22-30-15-7-4-8-16-30)44(64)55-37(23-31-24-52-34-18-10-9-17-32(31)34)45(65)53-35(43(63)58-40)19-11-12-20-50/h3-10,13-18,24,27-28,33,35-41,52,60-61H,11-12,19-23,25-26,50-51H2,1-2H3,(H,53,65)(H,54,66)(H,55,64)(H,56,62)(H,57,68)(H,58,63)(H,59,67)(H,69,70)/t27-,28-,33+,35+,36+,37-,38+,39-,40-,41-/m1/s1
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Article
PubMed
n/an/a 0.280n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of mSSTR2b


J Med Chem 40: 2252-8 (1997)


Article DOI: 10.1021/jm960851a
BindingDB Entry DOI: 10.7270/Q2BC3XPS
More data for this
Ligand-Target Pair
SSTR5


(RAT)
BDBM50059093
PNG
(2-{[10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propio...)
Show SMILES C[C@@H](O)[C@@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]([C@@H](C)O)C(=O)N1)C(O)=O
Show InChI InChI=1S/C49H64N10O11S2/c1-27(60)40-48(68)57-39(47(67)59-41(28(2)61)49(69)70)26-72-71-25-38(56-42(62)33(51)21-29-13-5-3-6-14-29)46(66)54-36(22-30-15-7-4-8-16-30)44(64)55-37(23-31-24-52-34-18-10-9-17-32(31)34)45(65)53-35(43(63)58-40)19-11-12-20-50/h3-10,13-18,24,27-28,33,35-41,52,60-61H,11-12,19-23,25-26,50-51H2,1-2H3,(H,53,65)(H,54,66)(H,55,64)(H,56,62)(H,57,68)(H,58,63)(H,59,67)(H,69,70)/t27-,28-,33+,35+,36+,37-,38+,39-,40-,41-/m1/s1
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Article
PubMed
n/an/a 1.04n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of rSSTR5


J Med Chem 40: 2252-8 (1997)


Article DOI: 10.1021/jm960851a
BindingDB Entry DOI: 10.7270/Q2BC3XPS
More data for this
Ligand-Target Pair