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BDBM50065450 2-Amino-3-phenyl-N-{4-[(2S,5S,8S,14S,17R)-8,10,14-tribenzyl-5-((R)-1-hydroxy-ethyl)-17-(1H-indol-3-ylmethyl)-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16hexaaza-cyclooctadec-2-yl]-butyl}-propionamide::CHEMBL2370168

SMILES: [H][C@]1(NC(=O)[C@H](CCCCNC(=O)[C@@H](N)Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O

InChI Key: InChIKey=JHZKLNWCMALUKX-QWFCPSLTSA-N

Data: 5 KI  5 Kd

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 10 hits for monomerid = 50065450   
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))
BDBM50065450
PNG
(2-Amino-3-phenyl-N-{4-[(2S,5S,8S,14S,17R)-8,10,14-...)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCCNC(=O)[C@@H](N)Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O
Show InChI InChI=1S/C57H65N9O8/c1-37(67)51-56(73)64-49(32-40-22-10-4-11-23-40)57(74)66(35-41-24-12-5-13-25-41)36-50(68)61-47(31-39-20-8-3-9-21-39)54(71)63-48(33-42-34-60-45-27-15-14-26-43(42)45)55(72)62-46(53(70)65-51)28-16-17-29-59-52(69)44(58)30-38-18-6-2-7-19-38/h2-15,18-27,34,37,44,46-49,51,60,67H,16-17,28-33,35-36,58H2,1H3,(H,59,69)(H,61,68)(H,62,72)(H,63,71)(H,64,73)(H,65,70)/t37-,44+,46+,47+,48-,49+,51+/m1/s1
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7n/an/an/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
In vitro inhibition of radioligand binding to human somatostatin receptor (hsst2) expressed in CHO-K1 cells.


J Med Chem 41: 2679-85 (1998)


Article DOI: 10.1021/jm970393l
BindingDB Entry DOI: 10.7270/Q2Z60N6X
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50065450
PNG
(2-Amino-3-phenyl-N-{4-[(2S,5S,8S,14S,17R)-8,10,14-...)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCCNC(=O)[C@@H](N)Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O
Show InChI InChI=1S/C57H65N9O8/c1-37(67)51-56(73)64-49(32-40-22-10-4-11-23-40)57(74)66(35-41-24-12-5-13-25-41)36-50(68)61-47(31-39-20-8-3-9-21-39)54(71)63-48(33-42-34-60-45-27-15-14-26-43(42)45)55(72)62-46(53(70)65-51)28-16-17-29-59-52(69)44(58)30-38-18-6-2-7-19-38/h2-15,18-27,34,37,44,46-49,51,60,67H,16-17,28-33,35-36,58H2,1H3,(H,59,69)(H,61,68)(H,62,72)(H,63,71)(H,64,73)(H,65,70)/t37-,44+,46+,47+,48-,49+,51+/m1/s1
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101n/an/an/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
In vitro inhibition of radioligand binding to human Somatostatin receptor type 5 expressed in CHO-K1 cells.


J Med Chem 41: 2679-85 (1998)


Article DOI: 10.1021/jm970393l
BindingDB Entry DOI: 10.7270/Q2Z60N6X
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50065450
PNG
(2-Amino-3-phenyl-N-{4-[(2S,5S,8S,14S,17R)-8,10,14-...)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCCNC(=O)[C@@H](N)Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O
Show InChI InChI=1S/C57H65N9O8/c1-37(67)51-56(73)64-49(32-40-22-10-4-11-23-40)57(74)66(35-41-24-12-5-13-25-41)36-50(68)61-47(31-39-20-8-3-9-21-39)54(71)63-48(33-42-34-60-45-27-15-14-26-43(42)45)55(72)62-46(53(70)65-51)28-16-17-29-59-52(69)44(58)30-38-18-6-2-7-19-38/h2-15,18-27,34,37,44,46-49,51,60,67H,16-17,28-33,35-36,58H2,1H3,(H,59,69)(H,61,68)(H,62,72)(H,63,71)(H,64,73)(H,65,70)/t37-,44+,46+,47+,48-,49+,51+/m1/s1
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253n/an/an/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
In vitro inhibition of radioligand binding to human somatostatin receptor (hsst3) expressed in CHO-K1 cells.


J Med Chem 41: 2679-85 (1998)


Article DOI: 10.1021/jm970393l
BindingDB Entry DOI: 10.7270/Q2Z60N6X
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50065450
PNG
(2-Amino-3-phenyl-N-{4-[(2S,5S,8S,14S,17R)-8,10,14-...)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCCNC(=O)[C@@H](N)Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O
Show InChI InChI=1S/C57H65N9O8/c1-37(67)51-56(73)64-49(32-40-22-10-4-11-23-40)57(74)66(35-41-24-12-5-13-25-41)36-50(68)61-47(31-39-20-8-3-9-21-39)54(71)63-48(33-42-34-60-45-27-15-14-26-43(42)45)55(72)62-46(53(70)65-51)28-16-17-29-59-52(69)44(58)30-38-18-6-2-7-19-38/h2-15,18-27,34,37,44,46-49,51,60,67H,16-17,28-33,35-36,58H2,1H3,(H,59,69)(H,61,68)(H,62,72)(H,63,71)(H,64,73)(H,65,70)/t37-,44+,46+,47+,48-,49+,51+/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
In vitro inhibition of radioligand binding to human somatostatin receptor (hsst4) expressed in CHO-K1 cells.


J Med Chem 41: 2679-85 (1998)


Article DOI: 10.1021/jm970393l
BindingDB Entry DOI: 10.7270/Q2Z60N6X
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50065450
PNG
(2-Amino-3-phenyl-N-{4-[(2S,5S,8S,14S,17R)-8,10,14-...)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCCNC(=O)[C@@H](N)Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O
Show InChI InChI=1S/C57H65N9O8/c1-37(67)51-56(73)64-49(32-40-22-10-4-11-23-40)57(74)66(35-41-24-12-5-13-25-41)36-50(68)61-47(31-39-20-8-3-9-21-39)54(71)63-48(33-42-34-60-45-27-15-14-26-43(42)45)55(72)62-46(53(70)65-51)28-16-17-29-59-52(69)44(58)30-38-18-6-2-7-19-38/h2-15,18-27,34,37,44,46-49,51,60,67H,16-17,28-33,35-36,58H2,1H3,(H,59,69)(H,61,68)(H,62,72)(H,63,71)(H,64,73)(H,65,70)/t37-,44+,46+,47+,48-,49+,51+/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
In vitro inhibition of radioligand binding to human somatostatin receptor (hsst1) expressed in CHO-K1 cells.


J Med Chem 41: 2679-85 (1998)


Article DOI: 10.1021/jm970393l
BindingDB Entry DOI: 10.7270/Q2Z60N6X
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50065450
PNG
(2-Amino-3-phenyl-N-{4-[(2S,5S,8S,14S,17R)-8,10,14-...)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCCNC(=O)[C@@H](N)Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O
Show InChI InChI=1S/C57H65N9O8/c1-37(67)51-56(73)64-49(32-40-22-10-4-11-23-40)57(74)66(35-41-24-12-5-13-25-41)36-50(68)61-47(31-39-20-8-3-9-21-39)54(71)63-48(33-42-34-60-45-27-15-14-26-43(42)45)55(72)62-46(53(70)65-51)28-16-17-29-59-52(69)44(58)30-38-18-6-2-7-19-38/h2-15,18-27,34,37,44,46-49,51,60,67H,16-17,28-33,35-36,58H2,1H3,(H,59,69)(H,61,68)(H,62,72)(H,63,71)(H,64,73)(H,65,70)/t37-,44+,46+,47+,48-,49+,51+/m1/s1
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n/an/an/a 4.68E+3n/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
In vitro inhibition of radioligand binding to human somatostatin receptor (hsst4) expressed in CHO cells.


J Med Chem 41: 2679-85 (1998)


Article DOI: 10.1021/jm970393l
BindingDB Entry DOI: 10.7270/Q2Z60N6X
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50065450
PNG
(2-Amino-3-phenyl-N-{4-[(2S,5S,8S,14S,17R)-8,10,14-...)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCCNC(=O)[C@@H](N)Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O
Show InChI InChI=1S/C57H65N9O8/c1-37(67)51-56(73)64-49(32-40-22-10-4-11-23-40)57(74)66(35-41-24-12-5-13-25-41)36-50(68)61-47(31-39-20-8-3-9-21-39)54(71)63-48(33-42-34-60-45-27-15-14-26-43(42)45)55(72)62-46(53(70)65-51)28-16-17-29-59-52(69)44(58)30-38-18-6-2-7-19-38/h2-15,18-27,34,37,44,46-49,51,60,67H,16-17,28-33,35-36,58H2,1H3,(H,59,69)(H,61,68)(H,62,72)(H,63,71)(H,64,73)(H,65,70)/t37-,44+,46+,47+,48-,49+,51+/m1/s1
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n/an/an/a 282n/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
In vitro inhibition of radioligand binding to human somatostatin receptor (hsst3) expressed in CHO cells.


J Med Chem 41: 2679-85 (1998)


Article DOI: 10.1021/jm970393l
BindingDB Entry DOI: 10.7270/Q2Z60N6X
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50065450
PNG
(2-Amino-3-phenyl-N-{4-[(2S,5S,8S,14S,17R)-8,10,14-...)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCCNC(=O)[C@@H](N)Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O
Show InChI InChI=1S/C57H65N9O8/c1-37(67)51-56(73)64-49(32-40-22-10-4-11-23-40)57(74)66(35-41-24-12-5-13-25-41)36-50(68)61-47(31-39-20-8-3-9-21-39)54(71)63-48(33-42-34-60-45-27-15-14-26-43(42)45)55(72)62-46(53(70)65-51)28-16-17-29-59-52(69)44(58)30-38-18-6-2-7-19-38/h2-15,18-27,34,37,44,46-49,51,60,67H,16-17,28-33,35-36,58H2,1H3,(H,59,69)(H,61,68)(H,62,72)(H,63,71)(H,64,73)(H,65,70)/t37-,44+,46+,47+,48-,49+,51+/m1/s1
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n/an/an/a 3n/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
In vitro inhibition of radioligand binding to human somatostatin receptor (hsst2) expressed in CHO cells.


J Med Chem 41: 2679-85 (1998)


Article DOI: 10.1021/jm970393l
BindingDB Entry DOI: 10.7270/Q2Z60N6X
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50065450
PNG
(2-Amino-3-phenyl-N-{4-[(2S,5S,8S,14S,17R)-8,10,14-...)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCCNC(=O)[C@@H](N)Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O
Show InChI InChI=1S/C57H65N9O8/c1-37(67)51-56(73)64-49(32-40-22-10-4-11-23-40)57(74)66(35-41-24-12-5-13-25-41)36-50(68)61-47(31-39-20-8-3-9-21-39)54(71)63-48(33-42-34-60-45-27-15-14-26-43(42)45)55(72)62-46(53(70)65-51)28-16-17-29-59-52(69)44(58)30-38-18-6-2-7-19-38/h2-15,18-27,34,37,44,46-49,51,60,67H,16-17,28-33,35-36,58H2,1H3,(H,59,69)(H,61,68)(H,62,72)(H,63,71)(H,64,73)(H,65,70)/t37-,44+,46+,47+,48-,49+,51+/m1/s1
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n/an/an/a 69n/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
In vitro inhibition of radioligand binding to human Somatostatin receptor type 5 expressed in CCL-39 cells.


J Med Chem 41: 2679-85 (1998)


Article DOI: 10.1021/jm970393l
BindingDB Entry DOI: 10.7270/Q2Z60N6X
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50065450
PNG
(2-Amino-3-phenyl-N-{4-[(2S,5S,8S,14S,17R)-8,10,14-...)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCCNC(=O)[C@@H](N)Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O
Show InChI InChI=1S/C57H65N9O8/c1-37(67)51-56(73)64-49(32-40-22-10-4-11-23-40)57(74)66(35-41-24-12-5-13-25-41)36-50(68)61-47(31-39-20-8-3-9-21-39)54(71)63-48(33-42-34-60-45-27-15-14-26-43(42)45)55(72)62-46(53(70)65-51)28-16-17-29-59-52(69)44(58)30-38-18-6-2-7-19-38/h2-15,18-27,34,37,44,46-49,51,60,67H,16-17,28-33,35-36,58H2,1H3,(H,59,69)(H,61,68)(H,62,72)(H,63,71)(H,64,73)(H,65,70)/t37-,44+,46+,47+,48-,49+,51+/m1/s1
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n/an/an/a 7.08E+3n/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
In vitro inhibition of radioligand binding to human somatostatin receptor (hsst1) expressed in hSF6 cells.


J Med Chem 41: 2679-85 (1998)


Article DOI: 10.1021/jm970393l
BindingDB Entry DOI: 10.7270/Q2Z60N6X
More data for this
Ligand-Target Pair