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BDBM50243526 (2R)-2-amino-N-[(4R,7S,10S,13R,16S,19S)-10-(4-aminobutyl)-4-{[(1S)-1-carbamoyl-2-cyclohexylethyl]carbamoyl}-16-{[4-(carbamoylamino)phenyl]methyl}-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl]-3-(4-chlorophenyl)propanamide::CHEMBL451932

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](CC1CCCCC1)C(N)=O)NC(=O)[C@H](N)Cc1ccc(Cl)cc1

InChI Key: InChIKey=AKICOXAXTFVPHX-ODRCOGHDNA-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 = 50243526   
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))
BDBM50243526
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](CC1CCCCC1)C(N)=O)NC(=O)[C@H](N)Cc1ccc(Cl)cc1
Show InChI InChI=1/C55H74ClN13O10S2/c1-30(70)46-54(78)68-45(52(76)64-41(47(59)71)24-31-9-3-2-4-10-31)29-81-80-28-44(67-48(72)38(58)23-32-14-18-35(56)19-15-32)53(77)65-42(25-33-16-20-36(21-17-33)62-55(60)79)50(74)66-43(26-34-27-61-39-12-6-5-11-37(34)39)51(75)63-40(49(73)69-46)13-7-8-22-57/h5-6,11-12,14-21,27,30-31,38,40-46,61,70H,2-4,7-10,13,22-26,28-29,57-58H2,1H3,(H2,59,71)(H,63,75)(H,64,76)(H,65,77)(H,66,74)(H,67,72)(H,68,78)(H,69,73)(H3,60,62,79)/t30-,38-,40+,41+,42+,43-,44-,45+,46+/s2
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Article
PubMed
n/an/a 247n/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))
BDBM50243526
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](CC1CCCCC1)C(N)=O)NC(=O)[C@H](N)Cc1ccc(Cl)cc1
Show InChI InChI=1/C55H74ClN13O10S2/c1-30(70)46-54(78)68-45(52(76)64-41(47(59)71)24-31-9-3-2-4-10-31)29-81-80-28-44(67-48(72)38(58)23-32-14-18-35(56)19-15-32)53(77)65-42(25-33-16-20-36(21-17-33)62-55(60)79)50(74)66-43(26-34-27-61-39-12-6-5-11-37(34)39)51(75)63-40(49(73)69-46)13-7-8-22-57/h5-6,11-12,14-21,27,30-31,38,40-46,61,70H,2-4,7-10,13,22-26,28-29,57-58H2,1H3,(H2,59,71)(H,63,75)(H,64,76)(H,65,77)(H,66,74)(H,67,72)(H,68,78)(H,69,73)(H3,60,62,79)/t30-,38-,40+,41+,42+,43-,44-,45+,46+/s2
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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
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50243526
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](CC1CCCCC1)C(N)=O)NC(=O)[C@H](N)Cc1ccc(Cl)cc1
Show InChI InChI=1/C55H74ClN13O10S2/c1-30(70)46-54(78)68-45(52(76)64-41(47(59)71)24-31-9-3-2-4-10-31)29-81-80-28-44(67-48(72)38(58)23-32-14-18-35(56)19-15-32)53(77)65-42(25-33-16-20-36(21-17-33)62-55(60)79)50(74)66-43(26-34-27-61-39-12-6-5-11-37(34)39)51(75)63-40(49(73)69-46)13-7-8-22-57/h5-6,11-12,14-21,27,30-31,38,40-46,61,70H,2-4,7-10,13,22-26,28-29,57-58H2,1H3,(H2,59,71)(H,63,75)(H,64,76)(H,65,77)(H,66,74)(H,67,72)(H,68,78)(H,69,73)(H3,60,62,79)/t30-,38-,40+,41+,42+,43-,44-,45+,46+/s2
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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 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 3


(Homo sapiens (Human))
BDBM50243526
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](CC1CCCCC1)C(N)=O)NC(=O)[C@H](N)Cc1ccc(Cl)cc1
Show InChI InChI=1/C55H74ClN13O10S2/c1-30(70)46-54(78)68-45(52(76)64-41(47(59)71)24-31-9-3-2-4-10-31)29-81-80-28-44(67-48(72)38(58)23-32-14-18-35(56)19-15-32)53(77)65-42(25-33-16-20-36(21-17-33)62-55(60)79)50(74)66-43(26-34-27-61-39-12-6-5-11-37(34)39)51(75)63-40(49(73)69-46)13-7-8-22-57/h5-6,11-12,14-21,27,30-31,38,40-46,61,70H,2-4,7-10,13,22-26,28-29,57-58H2,1H3,(H2,59,71)(H,63,75)(H,64,76)(H,65,77)(H,66,74)(H,67,72)(H,68,78)(H,69,73)(H3,60,62,79)/t30-,38-,40+,41+,42+,43-,44-,45+,46+/s2
Reactome pathway
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Article
PubMed
n/an/a 255n/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 2


(Homo sapiens (Human))
BDBM50243526
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](CC1CCCCC1)C(N)=O)NC(=O)[C@H](N)Cc1ccc(Cl)cc1
Show InChI InChI=1/C55H74ClN13O10S2/c1-30(70)46-54(78)68-45(52(76)64-41(47(59)71)24-31-9-3-2-4-10-31)29-81-80-28-44(67-48(72)38(58)23-32-14-18-35(56)19-15-32)53(77)65-42(25-33-16-20-36(21-17-33)62-55(60)79)50(74)66-43(26-34-27-61-39-12-6-5-11-37(34)39)51(75)63-40(49(73)69-46)13-7-8-22-57/h5-6,11-12,14-21,27,30-31,38,40-46,61,70H,2-4,7-10,13,22-26,28-29,57-58H2,1H3,(H2,59,71)(H,63,75)(H,64,76)(H,65,77)(H,66,74)(H,67,72)(H,68,78)(H,69,73)(H3,60,62,79)/t30-,38-,40+,41+,42+,43-,44-,45+,46+/s2
KEGG

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DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.10n/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