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SMILES: C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc(NC(N)=O)cc1)C(N)=O)NC(=O)[C@H](N)Cc1ccc(Cl)cc1

InChI Key: InChIKey=WXYLGZXPSGFEPH-MQPLHKJVSA-N

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 = 50243529   
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))
BDBM50243529
PNG
((2R)-2-amino-N-[(4R,7S,10S,13R,16S,19S)-10-(4-amin...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc(NC(N)=O)cc1)C(N)=O)NC(=O)[C@H](N)Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C56H70ClN15O11S2/c1-29(73)46-54(81)71-45(52(79)67-41(47(60)74)23-31-11-17-35(18-12-31)64-55(61)82)28-85-84-27-44(70-48(75)38(59)22-30-9-15-34(57)16-10-30)53(80)68-42(24-32-13-19-36(20-14-32)65-56(62)83)50(77)69-43(25-33-26-63-39-7-3-2-6-37(33)39)51(78)66-40(49(76)72-46)8-4-5-21-58/h2-3,6-7,9-20,26,29,38,40-46,63,73H,4-5,8,21-25,27-28,58-59H2,1H3,(H2,60,74)(H,66,78)(H,67,79)(H,68,80)(H,69,77)(H,70,75)(H,71,81)(H,72,76)(H3,61,64,82)(H3,62,65,83)/t29-,38-,40+,41+,42+,43-,44-,45+,46+/m1/s1
PDB

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Article
PubMed
n/an/a 15n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Displacement of [125I][LTT]SRIF28 from human cloned sst2 receptor by autoradiography


J Med Chem 51: 4030-7 (2008)


Article DOI: 10.1021/jm701618q
BindingDB Entry DOI: 10.7270/Q22J6CSW
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50243529
PNG
((2R)-2-amino-N-[(4R,7S,10S,13R,16S,19S)-10-(4-amin...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc(NC(N)=O)cc1)C(N)=O)NC(=O)[C@H](N)Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C56H70ClN15O11S2/c1-29(73)46-54(81)71-45(52(79)67-41(47(60)74)23-31-11-17-35(18-12-31)64-55(61)82)28-85-84-27-44(70-48(75)38(59)22-30-9-15-34(57)16-10-30)53(80)68-42(24-32-13-19-36(20-14-32)65-56(62)83)50(77)69-43(25-33-26-63-39-7-3-2-6-37(33)39)51(78)66-40(49(76)72-46)8-4-5-21-58/h2-3,6-7,9-20,26,29,38,40-46,63,73H,4-5,8,21-25,27-28,58-59H2,1H3,(H2,60,74)(H,66,78)(H,67,79)(H,68,80)(H,69,77)(H,70,75)(H,71,81)(H,72,76)(H3,61,64,82)(H3,62,65,83)/t29-,38-,40+,41+,42+,43-,44-,45+,46+/m1/s1
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Article
PubMed
n/an/a 336n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Displacement of [125I][LTT]SRIF28 from human cloned sst3 receptor by autoradiography


J Med Chem 51: 4030-7 (2008)


Article DOI: 10.1021/jm701618q
BindingDB Entry DOI: 10.7270/Q22J6CSW
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50243529
PNG
((2R)-2-amino-N-[(4R,7S,10S,13R,16S,19S)-10-(4-amin...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc(NC(N)=O)cc1)C(N)=O)NC(=O)[C@H](N)Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C56H70ClN15O11S2/c1-29(73)46-54(81)71-45(52(79)67-41(47(60)74)23-31-11-17-35(18-12-31)64-55(61)82)28-85-84-27-44(70-48(75)38(59)22-30-9-15-34(57)16-10-30)53(80)68-42(24-32-13-19-36(20-14-32)65-56(62)83)50(77)69-43(25-33-26-63-39-7-3-2-6-37(33)39)51(78)66-40(49(76)72-46)8-4-5-21-58/h2-3,6-7,9-20,26,29,38,40-46,63,73H,4-5,8,21-25,27-28,58-59H2,1H3,(H2,60,74)(H,66,78)(H,67,79)(H,68,80)(H,69,77)(H,70,75)(H,71,81)(H,72,76)(H3,61,64,82)(H3,62,65,83)/t29-,38-,40+,41+,42+,43-,44-,45+,46+/m1/s1
PDB

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UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 551n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Displacement of [125I][LTT]SRIF28 from human cloned sst4 receptor by autoradiography


J Med Chem 51: 4030-7 (2008)


Article DOI: 10.1021/jm701618q
BindingDB Entry DOI: 10.7270/Q22J6CSW
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50243529
PNG
((2R)-2-amino-N-[(4R,7S,10S,13R,16S,19S)-10-(4-amin...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc(NC(N)=O)cc1)C(N)=O)NC(=O)[C@H](N)Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C56H70ClN15O11S2/c1-29(73)46-54(81)71-45(52(79)67-41(47(60)74)23-31-11-17-35(18-12-31)64-55(61)82)28-85-84-27-44(70-48(75)38(59)22-30-9-15-34(57)16-10-30)53(80)68-42(24-32-13-19-36(20-14-32)65-56(62)83)50(77)69-43(25-33-26-63-39-7-3-2-6-37(33)39)51(78)66-40(49(76)72-46)8-4-5-21-58/h2-3,6-7,9-20,26,29,38,40-46,63,73H,4-5,8,21-25,27-28,58-59H2,1H3,(H2,60,74)(H,66,78)(H,67,79)(H,68,80)(H,69,77)(H,70,75)(H,71,81)(H,72,76)(H3,61,64,82)(H3,62,65,83)/t29-,38-,40+,41+,42+,43-,44-,45+,46+/m1/s1
Reactome pathway
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 560n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Displacement of [125I][LTT]SRIF28 from human cloned sst5 receptor by autoradiography


J Med Chem 51: 4030-7 (2008)


Article DOI: 10.1021/jm701618q
BindingDB Entry DOI: 10.7270/Q22J6CSW
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50243529
PNG
((2R)-2-amino-N-[(4R,7S,10S,13R,16S,19S)-10-(4-amin...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc(NC(N)=O)cc1)C(N)=O)NC(=O)[C@H](N)Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C56H70ClN15O11S2/c1-29(73)46-54(81)71-45(52(79)67-41(47(60)74)23-31-11-17-35(18-12-31)64-55(61)82)28-85-84-27-44(70-48(75)38(59)22-30-9-15-34(57)16-10-30)53(80)68-42(24-32-13-19-36(20-14-32)65-56(62)83)50(77)69-43(25-33-26-63-39-7-3-2-6-37(33)39)51(78)66-40(49(76)72-46)8-4-5-21-58/h2-3,6-7,9-20,26,29,38,40-46,63,73H,4-5,8,21-25,27-28,58-59H2,1H3,(H2,60,74)(H,66,78)(H,67,79)(H,68,80)(H,69,77)(H,70,75)(H,71,81)(H,72,76)(H3,61,64,82)(H3,62,65,83)/t29-,38-,40+,41+,42+,43-,44-,45+,46+/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Displacement of [125I][LTT]SRIF28 from human cloned sst1 receptor by autoradiography


J Med Chem 51: 4030-7 (2008)


Article DOI: 10.1021/jm701618q
BindingDB Entry DOI: 10.7270/Q22J6CSW
More data for this
Ligand-Target Pair