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BDBM50294253 (4R,7S,10S,13S,16S,19R)-19-amino-N-((2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl)-7,16-dibenzyl-10-(4-((isopropylamino)methyl)benzyl)-13-(N-methyl-2-naphthamido)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide::CHEMBL563462

SMILES: CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC2=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)N(C)C(=O)c2ccc3ccccc3c2)cc1

InChI Key: InChIKey=VABWJEMMIDGNDC-SWDBKDPZSA-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 = 50294253   
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))
BDBM50294253
PNG
((4R,7S,10S,13S,16S,19R)-19-amino-N-((2S,3R)-1-amin...)
Show SMILES CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC2=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)N(C)C(=O)c2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C55H66N10O9S2/c1-32(2)58-29-37-21-19-36(20-22-37)27-43-50(69)60-42(25-34-13-7-5-8-14-34)51(70)62-45(53(72)63-46(33(3)66)47(57)67)31-76-75-30-41(56)49(68)59-44(26-35-15-9-6-10-16-35)52(71)64-48(54(73)61-43)65(4)55(74)40-24-23-38-17-11-12-18-39(38)28-40/h5-24,28,32-33,41-46,48,58,66H,25-27,29-31,56H2,1-4H3,(H2,57,67)(H,59,68)(H,60,69)(H,61,73)(H,62,70)(H,63,72)(H,64,71)/t33-,41+,42+,43+,44+,45+,46+,48+/m1/s1
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n/an/a 525n/an/an/an/an/an/a



The Clayton Foundation Laboratories for Peptide Biology

Curated by ChEMBL


Assay Description
Displacement of [125I]LTT-SRIF-28 from human sst4 receptor by autoradiography


J Med Chem 52: 2733-46 (2009)


Article DOI: 10.1021/jm801314f
BindingDB Entry DOI: 10.7270/Q2CV4JPR
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50294253
PNG
((4R,7S,10S,13S,16S,19R)-19-amino-N-((2S,3R)-1-amin...)
Show SMILES CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC2=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)N(C)C(=O)c2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C55H66N10O9S2/c1-32(2)58-29-37-21-19-36(20-22-37)27-43-50(69)60-42(25-34-13-7-5-8-14-34)51(70)62-45(53(72)63-46(33(3)66)47(57)67)31-76-75-30-41(56)49(68)59-44(26-35-15-9-6-10-16-35)52(71)64-48(54(73)61-43)65(4)55(74)40-24-23-38-17-11-12-18-39(38)28-40/h5-24,28,32-33,41-46,48,58,66H,25-27,29-31,56H2,1-4H3,(H2,57,67)(H,59,68)(H,60,69)(H,61,73)(H,62,70)(H,63,72)(H,64,71)/t33-,41+,42+,43+,44+,45+,46+,48+/m1/s1
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n/an/a 253n/an/an/an/an/an/a



The Clayton Foundation Laboratories for Peptide Biology

Curated by ChEMBL


Assay Description
Displacement of [125I]LTT-SRIF-28 from human sst3 receptor by autoradiography


J Med Chem 52: 2733-46 (2009)


Article DOI: 10.1021/jm801314f
BindingDB Entry DOI: 10.7270/Q2CV4JPR
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50294253
PNG
((4R,7S,10S,13S,16S,19R)-19-amino-N-((2S,3R)-1-amin...)
Show SMILES CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC2=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)N(C)C(=O)c2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C55H66N10O9S2/c1-32(2)58-29-37-21-19-36(20-22-37)27-43-50(69)60-42(25-34-13-7-5-8-14-34)51(70)62-45(53(72)63-46(33(3)66)47(57)67)31-76-75-30-41(56)49(68)59-44(26-35-15-9-6-10-16-35)52(71)64-48(54(73)61-43)65(4)55(74)40-24-23-38-17-11-12-18-39(38)28-40/h5-24,28,32-33,41-46,48,58,66H,25-27,29-31,56H2,1-4H3,(H2,57,67)(H,59,68)(H,60,69)(H,61,73)(H,62,70)(H,63,72)(H,64,71)/t33-,41+,42+,43+,44+,45+,46+,48+/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



The Clayton Foundation Laboratories for Peptide Biology

Curated by ChEMBL


Assay Description
Displacement of [125I]LTT-SRIF-28 from human sst2 receptor by autoradiography


J Med Chem 52: 2733-46 (2009)


Article DOI: 10.1021/jm801314f
BindingDB Entry DOI: 10.7270/Q2CV4JPR
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50294253
PNG
((4R,7S,10S,13S,16S,19R)-19-amino-N-((2S,3R)-1-amin...)
Show SMILES CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC2=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)N(C)C(=O)c2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C55H66N10O9S2/c1-32(2)58-29-37-21-19-36(20-22-37)27-43-50(69)60-42(25-34-13-7-5-8-14-34)51(70)62-45(53(72)63-46(33(3)66)47(57)67)31-76-75-30-41(56)49(68)59-44(26-35-15-9-6-10-16-35)52(71)64-48(54(73)61-43)65(4)55(74)40-24-23-38-17-11-12-18-39(38)28-40/h5-24,28,32-33,41-46,48,58,66H,25-27,29-31,56H2,1-4H3,(H2,57,67)(H,59,68)(H,60,69)(H,61,73)(H,62,70)(H,63,72)(H,64,71)/t33-,41+,42+,43+,44+,45+,46+,48+/m1/s1
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n/an/a 37n/an/an/an/an/an/a



The Clayton Foundation Laboratories for Peptide Biology

Curated by ChEMBL


Assay Description
Displacement of [125I]LTT-SRIF-28 from human sst1 receptor by autoradiography


J Med Chem 52: 2733-46 (2009)


Article DOI: 10.1021/jm801314f
BindingDB Entry DOI: 10.7270/Q2CV4JPR
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50294253
PNG
((4R,7S,10S,13S,16S,19R)-19-amino-N-((2S,3R)-1-amin...)
Show SMILES CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC2=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)N(C)C(=O)c2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C55H66N10O9S2/c1-32(2)58-29-37-21-19-36(20-22-37)27-43-50(69)60-42(25-34-13-7-5-8-14-34)51(70)62-45(53(72)63-46(33(3)66)47(57)67)31-76-75-30-41(56)49(68)59-44(26-35-15-9-6-10-16-35)52(71)64-48(54(73)61-43)65(4)55(74)40-24-23-38-17-11-12-18-39(38)28-40/h5-24,28,32-33,41-46,48,58,66H,25-27,29-31,56H2,1-4H3,(H2,57,67)(H,59,68)(H,60,69)(H,61,73)(H,62,70)(H,63,72)(H,64,71)/t33-,41+,42+,43+,44+,45+,46+,48+/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



The Clayton Foundation Laboratories for Peptide Biology

Curated by ChEMBL


Assay Description
Displacement of [125I]LTT-SRIF-28 from human sst5 receptor by autoradiography


J Med Chem 52: 2733-46 (2009)


Article DOI: 10.1021/jm801314f
BindingDB Entry DOI: 10.7270/Q2CV4JPR
More data for this
Ligand-Target Pair