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BDBM50077280 CHEMBL408347::H-Cpa-cyclo[DCys-Pal-DTrp-Lys-Thr-Cys]-Nal-NH2

SMILES: C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2cccnc2)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

InChI Key: InChIKey=PDOUJSYSARKFTN-CKUVSZACSA-N

Data: 5 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50077280   
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))
BDBM50077280
PNG
(CHEMBL408347 | H-Cpa-cyclo[DCys-Pal-DTrp-Lys-Thr-C...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2cccnc2)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
Show InChI InChI=1S/C57H67ClN12O9S2/c1-32(71)49-57(79)69-48(55(77)65-44(50(61)72)25-34-15-18-36-10-2-3-11-37(36)23-34)31-81-80-30-47(68-51(73)41(60)24-33-16-19-39(58)20-17-33)56(78)66-45(26-35-9-8-22-62-28-35)53(75)67-46(27-38-29-63-42-13-5-4-12-40(38)42)54(76)64-43(52(74)70-49)14-6-7-21-59/h2-5,8-13,15-20,22-23,28-29,32,41,43-49,63,71H,6-7,14,21,24-27,30-31,59-60H2,1H3,(H2,61,72)(H,64,76)(H,65,77)(H,66,78)(H,67,75)(H,68,73)(H,69,79)(H,70,74)/t32-,41+,43+,44+,45-,46-,47+,48+,49+/m1/s1
KEGG

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Article
PubMed
12n/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))
BDBM50077280
PNG
(CHEMBL408347 | H-Cpa-cyclo[DCys-Pal-DTrp-Lys-Thr-C...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2cccnc2)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
Show InChI InChI=1S/C57H67ClN12O9S2/c1-32(71)49-57(79)69-48(55(77)65-44(50(61)72)25-34-15-18-36-10-2-3-11-37(36)23-34)31-81-80-30-47(68-51(73)41(60)24-33-16-19-39(58)20-17-33)56(78)66-45(26-35-9-8-22-62-28-35)53(75)67-46(27-38-29-63-42-13-5-4-12-40(38)42)54(76)64-43(52(74)70-49)14-6-7-21-59/h2-5,8-13,15-20,22-23,28-29,32,41,43-49,63,71H,6-7,14,21,24-27,30-31,59-60H2,1H3,(H2,61,72)(H,64,76)(H,65,77)(H,66,78)(H,67,75)(H,68,73)(H,69,79)(H,70,74)/t32-,41+,43+,44+,45-,46-,47+,48+,49+/m1/s1
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PubMed
38n/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))
BDBM50077280
PNG
(CHEMBL408347 | H-Cpa-cyclo[DCys-Pal-DTrp-Lys-Thr-C...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2cccnc2)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
Show InChI InChI=1S/C57H67ClN12O9S2/c1-32(71)49-57(79)69-48(55(77)65-44(50(61)72)25-34-15-18-36-10-2-3-11-37(36)23-34)31-81-80-30-47(68-51(73)41(60)24-33-16-19-39(58)20-17-33)56(78)66-45(26-35-9-8-22-62-28-35)53(75)67-46(27-38-29-63-42-13-5-4-12-40(38)42)54(76)64-43(52(74)70-49)14-6-7-21-59/h2-5,8-13,15-20,22-23,28-29,32,41,43-49,63,71H,6-7,14,21,24-27,30-31,59-60H2,1H3,(H2,61,72)(H,64,76)(H,65,77)(H,66,78)(H,67,75)(H,68,73)(H,69,79)(H,70,74)/t32-,41+,43+,44+,45-,46-,47+,48+,49+/m1/s1
Reactome pathway
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PubMed
140n/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))
BDBM50077280
PNG
(CHEMBL408347 | H-Cpa-cyclo[DCys-Pal-DTrp-Lys-Thr-C...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2cccnc2)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
Show InChI InChI=1S/C57H67ClN12O9S2/c1-32(71)49-57(79)69-48(55(77)65-44(50(61)72)25-34-15-18-36-10-2-3-11-37(36)23-34)31-81-80-30-47(68-51(73)41(60)24-33-16-19-39(58)20-17-33)56(78)66-45(26-35-9-8-22-62-28-35)53(75)67-46(27-38-29-63-42-13-5-4-12-40(38)42)54(76)64-43(52(74)70-49)14-6-7-21-59/h2-5,8-13,15-20,22-23,28-29,32,41,43-49,63,71H,6-7,14,21,24-27,30-31,59-60H2,1H3,(H2,61,72)(H,64,76)(H,65,77)(H,66,78)(H,67,75)(H,68,73)(H,69,79)(H,70,74)/t32-,41+,43+,44+,45-,46-,47+,48+,49+/m1/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
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50077280
PNG
(CHEMBL408347 | H-Cpa-cyclo[DCys-Pal-DTrp-Lys-Thr-C...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2cccnc2)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
Show InChI InChI=1S/C57H67ClN12O9S2/c1-32(71)49-57(79)69-48(55(77)65-44(50(61)72)25-34-15-18-36-10-2-3-11-37(36)23-34)31-81-80-30-47(68-51(73)41(60)24-33-16-19-39(58)20-17-33)56(78)66-45(26-35-9-8-22-62-28-35)53(75)67-46(27-38-29-63-42-13-5-4-12-40(38)42)54(76)64-43(52(74)70-49)14-6-7-21-59/h2-5,8-13,15-20,22-23,28-29,32,41,43-49,63,71H,6-7,14,21,24-27,30-31,59-60H2,1H3,(H2,61,72)(H,64,76)(H,65,77)(H,66,78)(H,67,75)(H,68,73)(H,69,79)(H,70,74)/t32-,41+,43+,44+,45-,46-,47+,48+,49+/m1/s1
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Article
PubMed
1.40E+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 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