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BDBM50077273 CHEMBL411556::H-3Fpa-cyclo[DCys-His-DTrp-Lys-Val-Cys]-3Fpa-NH2

SMILES: CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cccc(F)c1)C(N)=O)NC(=O)[C@@H](N)Cc1cccc(F)c1

InChI Key: InChIKey=NUXBOPDGSBEUPX-RRBMOYSISA-N

Data: 5 KI

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 = 50077273   
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 1


(Homo sapiens (Human))
BDBM50077273
PNG
(CHEMBL411556 | H-3Fpa-cyclo[DCys-His-DTrp-Lys-Val-...)
Show SMILES CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cccc(F)c1)C(N)=O)NC(=O)[C@@H](N)Cc1cccc(F)c1
Show InChI InChI=1S/C52H65F2N13O8S2/c1-28(2)44-52(75)66-43(50(73)62-39(45(57)68)20-30-10-8-12-33(54)18-30)26-77-76-25-42(65-46(69)36(56)19-29-9-7-11-32(53)17-29)51(74)64-41(22-34-24-58-27-60-34)49(72)63-40(21-31-23-59-37-14-4-3-13-35(31)37)48(71)61-38(47(70)67-44)15-5-6-16-55/h3-4,7-14,17-18,23-24,27-28,36,38-44,59H,5-6,15-16,19-22,25-26,55-56H2,1-2H3,(H2,57,68)(H,58,60)(H,61,71)(H,62,73)(H,63,72)(H,64,74)(H,65,69)(H,66,75)(H,67,70)/t36-,38-,39-,40+,41-,42-,43-,44+/m0/s1
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Article
PubMed
60n/an/an/an/an/an/an/an/a



Tulane University School of Medicine

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against human Somatostatin receptor type 1


J Med Chem 42: 1863-71 (1999)


Article DOI: 10.1021/jm9806289
BindingDB Entry DOI: 10.7270/Q2XW4J03
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50077273
PNG
(CHEMBL411556 | H-3Fpa-cyclo[DCys-His-DTrp-Lys-Val-...)
Show SMILES CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cccc(F)c1)C(N)=O)NC(=O)[C@@H](N)Cc1cccc(F)c1
Show InChI InChI=1S/C52H65F2N13O8S2/c1-28(2)44-52(75)66-43(50(73)62-39(45(57)68)20-30-10-8-12-33(54)18-30)26-77-76-25-42(65-46(69)36(56)19-29-9-7-11-32(53)17-29)51(74)64-41(22-34-24-58-27-60-34)49(72)63-40(21-31-23-59-37-14-4-3-13-35(31)37)48(71)61-38(47(70)67-44)15-5-6-16-55/h3-4,7-14,17-18,23-24,27-28,36,38-44,59H,5-6,15-16,19-22,25-26,55-56H2,1-2H3,(H2,57,68)(H,58,60)(H,61,71)(H,62,73)(H,63,72)(H,64,74)(H,65,69)(H,66,75)(H,67,70)/t36-,38-,39-,40+,41-,42-,43-,44+/m0/s1
KEGG

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Article
PubMed
103n/an/an/an/an/an/an/an/a



Tulane University School of Medicine

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against human Somatostatin receptor type 2


J Med Chem 42: 1863-71 (1999)


Article DOI: 10.1021/jm9806289
BindingDB Entry DOI: 10.7270/Q2XW4J03
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50077273
PNG
(CHEMBL411556 | H-3Fpa-cyclo[DCys-His-DTrp-Lys-Val-...)
Show SMILES CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cccc(F)c1)C(N)=O)NC(=O)[C@@H](N)Cc1cccc(F)c1
Show InChI InChI=1S/C52H65F2N13O8S2/c1-28(2)44-52(75)66-43(50(73)62-39(45(57)68)20-30-10-8-12-33(54)18-30)26-77-76-25-42(65-46(69)36(56)19-29-9-7-11-32(53)17-29)51(74)64-41(22-34-24-58-27-60-34)49(72)63-40(21-31-23-59-37-14-4-3-13-35(31)37)48(71)61-38(47(70)67-44)15-5-6-16-55/h3-4,7-14,17-18,23-24,27-28,36,38-44,59H,5-6,15-16,19-22,25-26,55-56H2,1-2H3,(H2,57,68)(H,58,60)(H,61,71)(H,62,73)(H,63,72)(H,64,74)(H,65,69)(H,66,75)(H,67,70)/t36-,38-,39-,40+,41-,42-,43-,44+/m0/s1
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Article
PubMed
397n/an/an/an/an/an/an/an/a



Tulane University School of Medicine

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against human Somatostatin receptor type 3


J Med Chem 42: 1863-71 (1999)


Article DOI: 10.1021/jm9806289
BindingDB Entry DOI: 10.7270/Q2XW4J03
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50077273
PNG
(CHEMBL411556 | H-3Fpa-cyclo[DCys-His-DTrp-Lys-Val-...)
Show SMILES CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cccc(F)c1)C(N)=O)NC(=O)[C@@H](N)Cc1cccc(F)c1
Show InChI InChI=1S/C52H65F2N13O8S2/c1-28(2)44-52(75)66-43(50(73)62-39(45(57)68)20-30-10-8-12-33(54)18-30)26-77-76-25-42(65-46(69)36(56)19-29-9-7-11-32(53)17-29)51(74)64-41(22-34-24-58-27-60-34)49(72)63-40(21-31-23-59-37-14-4-3-13-35(31)37)48(71)61-38(47(70)67-44)15-5-6-16-55/h3-4,7-14,17-18,23-24,27-28,36,38-44,59H,5-6,15-16,19-22,25-26,55-56H2,1-2H3,(H2,57,68)(H,58,60)(H,61,71)(H,62,73)(H,63,72)(H,64,74)(H,65,69)(H,66,75)(H,67,70)/t36-,38-,39-,40+,41-,42-,43-,44+/m0/s1
Reactome pathway
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Article
PubMed
734n/an/an/an/an/an/an/an/a



Tulane University School of Medicine

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against human Somatostatin receptor type 5


J Med Chem 42: 1863-71 (1999)


Article DOI: 10.1021/jm9806289
BindingDB Entry DOI: 10.7270/Q2XW4J03
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50077273
PNG
(CHEMBL411556 | H-3Fpa-cyclo[DCys-His-DTrp-Lys-Val-...)
Show SMILES CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cccc(F)c1)C(N)=O)NC(=O)[C@@H](N)Cc1cccc(F)c1
Show InChI InChI=1S/C52H65F2N13O8S2/c1-28(2)44-52(75)66-43(50(73)62-39(45(57)68)20-30-10-8-12-33(54)18-30)26-77-76-25-42(65-46(69)36(56)19-29-9-7-11-32(53)17-29)51(74)64-41(22-34-24-58-27-60-34)49(72)63-40(21-31-23-59-37-14-4-3-13-35(31)37)48(71)61-38(47(70)67-44)15-5-6-16-55/h3-4,7-14,17-18,23-24,27-28,36,38-44,59H,5-6,15-16,19-22,25-26,55-56H2,1-2H3,(H2,57,68)(H,58,60)(H,61,71)(H,62,73)(H,63,72)(H,64,74)(H,65,69)(H,66,75)(H,67,70)/t36-,38-,39-,40+,41-,42-,43-,44+/m0/s1
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Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Tulane University School of Medicine

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against human Somatostatin receptor type 4


J Med Chem 42: 1863-71 (1999)


Article DOI: 10.1021/jm9806289
BindingDB Entry DOI: 10.7270/Q2XW4J03
More data for this
Ligand-Target Pair