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BDBM50243517 CHEMBL507148::N-[(4R,7S,10S,13R,16S,19S)-19-[(2R)-2-amino-3-(4-chlorophenyl)propanamido]-10-(4-aminobutyl)-4-{[(1S)-1-carbamoyl-2-(naphthalen-2-yl)ethyl]carbamoyl}-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-16-yl]-N-methylbenzamide

SMILES: C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC(=O)[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O)NC(=O)[C@H](N)Cc1ccc(Cl)cc1)N(C)C(=O)c1ccccc1

InChI Key: InChIKey=FXNXFWJCFNNAGW-FRNCAALFSA-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 = 50243517   
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))
BDBM50243517
PNG
(CHEMBL507148 | N-[(4R,7S,10S,13R,16S,19S)-19-[(2R)...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC(=O)[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O)NC(=O)[C@H](N)Cc1ccc(Cl)cc1)N(C)C(=O)c1ccccc1 |r|
Show InChI InChI=1S/C59H69ClN12O10S2/c1-33(73)49-57(80)69-47(55(78)66-45(50(63)74)28-35-19-22-36-12-6-7-15-38(36)26-35)31-83-84-32-48(68-52(75)42(62)27-34-20-23-40(60)24-21-34)56(79)71-51(72(2)59(82)37-13-4-3-5-14-37)58(81)67-46(29-39-30-64-43-17-9-8-16-41(39)43)54(77)65-44(53(76)70-49)18-10-11-25-61/h3-9,12-17,19-24,26,30,33,42,44-49,51,64,73H,10-11,18,25,27-29,31-32,61-62H2,1-2H3,(H2,63,74)(H,65,77)(H,66,78)(H,67,81)(H,68,75)(H,69,80)(H,70,76)(H,71,79)/t33-,42-,44+,45+,46-,47+,48-,49+,51+/m1/s1
KEGG

UniProtKB/SwissProt

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 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))
BDBM50243517
PNG
(CHEMBL507148 | N-[(4R,7S,10S,13R,16S,19S)-19-[(2R)...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC(=O)[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O)NC(=O)[C@H](N)Cc1ccc(Cl)cc1)N(C)C(=O)c1ccccc1 |r|
Show InChI InChI=1S/C59H69ClN12O10S2/c1-33(73)49-57(80)69-47(55(78)66-45(50(63)74)28-35-19-22-36-12-6-7-15-38(36)26-35)31-83-84-32-48(68-52(75)42(62)27-34-20-23-40(60)24-21-34)56(79)71-51(72(2)59(82)37-13-4-3-5-14-37)58(81)67-46(29-39-30-64-43-17-9-8-16-41(39)43)54(77)65-44(53(76)70-49)18-10-11-25-61/h3-9,12-17,19-24,26,30,33,42,44-49,51,64,73H,10-11,18,25,27-29,31-32,61-62H2,1-2H3,(H2,63,74)(H,65,77)(H,66,78)(H,67,81)(H,68,75)(H,69,80)(H,70,76)(H,71,79)/t33-,42-,44+,45+,46-,47+,48-,49+,51+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 442n/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 3


(Homo sapiens (Human))
BDBM50243517
PNG
(CHEMBL507148 | N-[(4R,7S,10S,13R,16S,19S)-19-[(2R)...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC(=O)[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O)NC(=O)[C@H](N)Cc1ccc(Cl)cc1)N(C)C(=O)c1ccccc1 |r|
Show InChI InChI=1S/C59H69ClN12O10S2/c1-33(73)49-57(80)69-47(55(78)66-45(50(63)74)28-35-19-22-36-12-6-7-15-38(36)26-35)31-83-84-32-48(68-52(75)42(62)27-34-20-23-40(60)24-21-34)56(79)71-51(72(2)59(82)37-13-4-3-5-14-37)58(81)67-46(29-39-30-64-43-17-9-8-16-41(39)43)54(77)65-44(53(76)70-49)18-10-11-25-61/h3-9,12-17,19-24,26,30,33,42,44-49,51,64,73H,10-11,18,25,27-29,31-32,61-62H2,1-2H3,(H2,63,74)(H,65,77)(H,66,78)(H,67,81)(H,68,75)(H,69,80)(H,70,76)(H,71,79)/t33-,42-,44+,45+,46-,47+,48-,49+,51+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 827n/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))
BDBM50243517
PNG
(CHEMBL507148 | N-[(4R,7S,10S,13R,16S,19S)-19-[(2R)...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC(=O)[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O)NC(=O)[C@H](N)Cc1ccc(Cl)cc1)N(C)C(=O)c1ccccc1 |r|
Show InChI InChI=1S/C59H69ClN12O10S2/c1-33(73)49-57(80)69-47(55(78)66-45(50(63)74)28-35-19-22-36-12-6-7-15-38(36)26-35)31-83-84-32-48(68-52(75)42(62)27-34-20-23-40(60)24-21-34)56(79)71-51(72(2)59(82)37-13-4-3-5-14-37)58(81)67-46(29-39-30-64-43-17-9-8-16-41(39)43)54(77)65-44(53(76)70-49)18-10-11-25-61/h3-9,12-17,19-24,26,30,33,42,44-49,51,64,73H,10-11,18,25,27-29,31-32,61-62H2,1-2H3,(H2,63,74)(H,65,77)(H,66,78)(H,67,81)(H,68,75)(H,69,80)(H,70,76)(H,71,79)/t33-,42-,44+,45+,46-,47+,48-,49+,51+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 17n/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 1


(Homo sapiens (Human))
BDBM50243517
PNG
(CHEMBL507148 | N-[(4R,7S,10S,13R,16S,19S)-19-[(2R)...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC(=O)[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O)NC(=O)[C@H](N)Cc1ccc(Cl)cc1)N(C)C(=O)c1ccccc1 |r|
Show InChI InChI=1S/C59H69ClN12O10S2/c1-33(73)49-57(80)69-47(55(78)66-45(50(63)74)28-35-19-22-36-12-6-7-15-38(36)26-35)31-83-84-32-48(68-52(75)42(62)27-34-20-23-40(60)24-21-34)56(79)71-51(72(2)59(82)37-13-4-3-5-14-37)58(81)67-46(29-39-30-64-43-17-9-8-16-41(39)43)54(77)65-44(53(76)70-49)18-10-11-25-61/h3-9,12-17,19-24,26,30,33,42,44-49,51,64,73H,10-11,18,25,27-29,31-32,61-62H2,1-2H3,(H2,63,74)(H,65,77)(H,66,78)(H,67,81)(H,68,75)(H,69,80)(H,70,76)(H,71,79)/t33-,42-,44+,45+,46-,47+,48-,49+,51+/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