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BDBM50077308 10-(4-Amino-butyl)-19-[2-amino-3-(4-chloro-phenyl)-propionylamino]-16-benzyl-7-(1-hydroxy-ethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaaza-cycloicosane-4-carboxylic acid (1-carbamoyl-2-naphthalen-2-yl-ethyl)-amide::CHEMBL439005

SMILES: C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)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=VSRBFZFTFFYHBT-SLNGEIHESA-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 = 50077308   
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))
BDBM50077308
PNG
(10-(4-Amino-butyl)-19-[2-amino-3-(4-chloro-phenyl)...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)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/C58H68ClN11O9S2/c1-33(71)50-58(79)69-49(56(77)65-45(51(62)72)28-36-18-21-37-13-5-6-14-38(37)25-36)32-81-80-31-48(68-52(73)42(61)26-35-19-22-40(59)23-20-35)57(78)66-46(27-34-11-3-2-4-12-34)54(75)67-47(29-39-30-63-43-16-8-7-15-41(39)43)55(76)64-44(53(74)70-50)17-9-10-24-60/h2-8,11-16,18-23,25,30,33,42,44-50,63,71H,9-10,17,24,26-29,31-32,60-61H2,1H3,(H2,62,72)(H,64,76)(H,65,77)(H,66,78)(H,67,75)(H,68,73)(H,69,79)(H,70,74)/t33-,42+,44+,45+,46+,47-,48+,49+,50+/m1/s1
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PubMed
51n/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 5


(Homo sapiens (Human))
BDBM50077308
PNG
(10-(4-Amino-butyl)-19-[2-amino-3-(4-chloro-phenyl)...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)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/C58H68ClN11O9S2/c1-33(71)50-58(79)69-49(56(77)65-45(51(62)72)28-36-18-21-37-13-5-6-14-38(37)25-36)32-81-80-31-48(68-52(73)42(61)26-35-19-22-40(59)23-20-35)57(78)66-46(27-34-11-3-2-4-12-34)54(75)67-47(29-39-30-63-43-16-8-7-15-41(39)43)55(76)64-44(53(74)70-50)17-9-10-24-60/h2-8,11-16,18-23,25,30,33,42,44-50,63,71H,9-10,17,24,26-29,31-32,60-61H2,1H3,(H2,62,72)(H,64,76)(H,65,77)(H,66,78)(H,67,75)(H,68,73)(H,69,79)(H,70,74)/t33-,42+,44+,45+,46+,47-,48+,49+,50+/m1/s1
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87n/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 3


(Homo sapiens (Human))
BDBM50077308
PNG
(10-(4-Amino-butyl)-19-[2-amino-3-(4-chloro-phenyl)...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)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/C58H68ClN11O9S2/c1-33(71)50-58(79)69-49(56(77)65-45(51(62)72)28-36-18-21-37-13-5-6-14-38(37)25-36)32-81-80-31-48(68-52(73)42(61)26-35-19-22-40(59)23-20-35)57(78)66-46(27-34-11-3-2-4-12-34)54(75)67-47(29-39-30-63-43-16-8-7-15-41(39)43)55(76)64-44(53(74)70-50)17-9-10-24-60/h2-8,11-16,18-23,25,30,33,42,44-50,63,71H,9-10,17,24,26-29,31-32,60-61H2,1H3,(H2,62,72)(H,64,76)(H,65,77)(H,66,78)(H,67,75)(H,68,73)(H,69,79)(H,70,74)/t33-,42+,44+,45+,46+,47-,48+,49+,50+/m1/s1
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PubMed
290n/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 1


(Homo sapiens (Human))
BDBM50077308
PNG
(10-(4-Amino-butyl)-19-[2-amino-3-(4-chloro-phenyl)...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)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/C58H68ClN11O9S2/c1-33(71)50-58(79)69-49(56(77)65-45(51(62)72)28-36-18-21-37-13-5-6-14-38(37)25-36)32-81-80-31-48(68-52(73)42(61)26-35-19-22-40(59)23-20-35)57(78)66-46(27-34-11-3-2-4-12-34)54(75)67-47(29-39-30-63-43-16-8-7-15-41(39)43)55(76)64-44(53(74)70-50)17-9-10-24-60/h2-8,11-16,18-23,25,30,33,42,44-50,63,71H,9-10,17,24,26-29,31-32,60-61H2,1H3,(H2,62,72)(H,64,76)(H,65,77)(H,66,78)(H,67,75)(H,68,73)(H,69,79)(H,70,74)/t33-,42+,44+,45+,46+,47-,48+,49+,50+/m1/s1
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PubMed
443n/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 4


(Homo sapiens (Human))
BDBM50077308
PNG
(10-(4-Amino-butyl)-19-[2-amino-3-(4-chloro-phenyl)...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)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/C58H68ClN11O9S2/c1-33(71)50-58(79)69-49(56(77)65-45(51(62)72)28-36-18-21-37-13-5-6-14-38(37)25-36)32-81-80-31-48(68-52(73)42(61)26-35-19-22-40(59)23-20-35)57(78)66-46(27-34-11-3-2-4-12-34)54(75)67-47(29-39-30-63-43-16-8-7-15-41(39)43)55(76)64-44(53(74)70-50)17-9-10-24-60/h2-8,11-16,18-23,25,30,33,42,44-50,63,71H,9-10,17,24,26-29,31-32,60-61H2,1H3,(H2,62,72)(H,64,76)(H,65,77)(H,66,78)(H,67,75)(H,68,73)(H,69,79)(H,70,74)/t33-,42+,44+,45+,46+,47-,48+,49+,50+/m1/s1
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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