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SMILES: [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O)C(O)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)[C@@H](C)O

InChI Key: InChIKey=SXNLMYUYELPYJK-MDDAJISYSA-N

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 = 50496020   
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 5


(Homo sapiens (Human))		BDBM50496020
PNG
(CHEMBL3122127)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O)C(O)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)[C@@H](C)O |r|
Show InChI InChI=1S/C92H130N24O26S2/c1-52(100-73(122)45-113-30-32-114(46-74(123)124)34-36-116(48-76(127)128)37-35-115(33-31-113)47-75(125)126)79(129)99-44-72(121)101-69-50-143-144-51-70(91(141)142)110-87(137)68(49-117)109-90(140)78(54(3)119)112-86(136)65(40-57-22-11-6-12-23-57)108-89(139)77(53(2)118)111-81(131)61(26-15-16-28-93)102-84(134)66(41-58-43-98-60-25-14-13-24-59(58)60)106-83(133)64(39-56-20-9-5-10-21-56)104-82(132)63(38-55-18-7-4-8-19-55)105-85(135)67(42-71(94)120)107-80(130)62(103-88(69)138)27-17-29-97-92(95)96/h4-14,18-25,43,52-54,61-70,77-78,98,117-119H,15-17,26-42,44-51,93H2,1-3H3,(H2,94,120)(H,99,129)(H,100,122)(H,101,121)(H,102,134)(H,103,138)(H,104,132)(H,105,135)(H,106,133)(H,107,130)(H,108,139)(H,109,140)(H,110,137)(H,111,131)(H,112,136)(H,123,124)(H,125,126)(H,127,128)(H,141,142)(H4,95,96,97)/t52-,53+,54+,61-,62-,63-,64-,65-,66+,67-,68-,69-,70+,77-,78-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 25n/an/an/an/an/an/a



INRASTES

Curated by ChEMBL


Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST5 receptor expressed in HEK293 cells after 2 hrs by autoradiographic analysis

Eur J Med Chem 73: 30-7 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))		BDBM50496020
PNG
(CHEMBL3122127)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O)C(O)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)[C@@H](C)O |r|
Show InChI InChI=1S/C92H130N24O26S2/c1-52(100-73(122)45-113-30-32-114(46-74(123)124)34-36-116(48-76(127)128)37-35-115(33-31-113)47-75(125)126)79(129)99-44-72(121)101-69-50-143-144-51-70(91(141)142)110-87(137)68(49-117)109-90(140)78(54(3)119)112-86(136)65(40-57-22-11-6-12-23-57)108-89(139)77(53(2)118)111-81(131)61(26-15-16-28-93)102-84(134)66(41-58-43-98-60-25-14-13-24-59(58)60)106-83(133)64(39-56-20-9-5-10-21-56)104-82(132)63(38-55-18-7-4-8-19-55)105-85(135)67(42-71(94)120)107-80(130)62(103-88(69)138)27-17-29-97-92(95)96/h4-14,18-25,43,52-54,61-70,77-78,98,117-119H,15-17,26-42,44-51,93H2,1-3H3,(H2,94,120)(H,99,129)(H,100,122)(H,101,121)(H,102,134)(H,103,138)(H,104,132)(H,105,135)(H,106,133)(H,107,130)(H,108,139)(H,109,140)(H,110,137)(H,111,131)(H,112,136)(H,123,124)(H,125,126)(H,127,128)(H,141,142)(H4,95,96,97)/t52-,53+,54+,61-,62-,63-,64-,65-,66+,67-,68-,69-,70+,77-,78-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



INRASTES

Curated by ChEMBL


Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST3 receptor expressed in Chinese hamster CCL-39 cells after 2 hrs by autoradiographic analysis

Eur J Med Chem 73: 30-7 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))		BDBM50496020
PNG
(CHEMBL3122127)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O)C(O)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)[C@@H](C)O |r|
Show InChI InChI=1S/C92H130N24O26S2/c1-52(100-73(122)45-113-30-32-114(46-74(123)124)34-36-116(48-76(127)128)37-35-115(33-31-113)47-75(125)126)79(129)99-44-72(121)101-69-50-143-144-51-70(91(141)142)110-87(137)68(49-117)109-90(140)78(54(3)119)112-86(136)65(40-57-22-11-6-12-23-57)108-89(139)77(53(2)118)111-81(131)61(26-15-16-28-93)102-84(134)66(41-58-43-98-60-25-14-13-24-59(58)60)106-83(133)64(39-56-20-9-5-10-21-56)104-82(132)63(38-55-18-7-4-8-19-55)105-85(135)67(42-71(94)120)107-80(130)62(103-88(69)138)27-17-29-97-92(95)96/h4-14,18-25,43,52-54,61-70,77-78,98,117-119H,15-17,26-42,44-51,93H2,1-3H3,(H2,94,120)(H,99,129)(H,100,122)(H,101,121)(H,102,134)(H,103,138)(H,104,132)(H,105,135)(H,106,133)(H,107,130)(H,108,139)(H,109,140)(H,110,137)(H,111,131)(H,112,136)(H,123,124)(H,125,126)(H,127,128)(H,141,142)(H4,95,96,97)/t52-,53+,54+,61-,62-,63-,64-,65-,66+,67-,68-,69-,70+,77-,78-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 38n/an/an/an/an/an/a



INRASTES

Curated by ChEMBL


Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST1 receptor expressed in CHO cells after 2 hrs by autoradiographic analysis

Eur J Med Chem 73: 30-7 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))		BDBM50496020
PNG
(CHEMBL3122127)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O)C(O)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)[C@@H](C)O |r|
Show InChI InChI=1S/C92H130N24O26S2/c1-52(100-73(122)45-113-30-32-114(46-74(123)124)34-36-116(48-76(127)128)37-35-115(33-31-113)47-75(125)126)79(129)99-44-72(121)101-69-50-143-144-51-70(91(141)142)110-87(137)68(49-117)109-90(140)78(54(3)119)112-86(136)65(40-57-22-11-6-12-23-57)108-89(139)77(53(2)118)111-81(131)61(26-15-16-28-93)102-84(134)66(41-58-43-98-60-25-14-13-24-59(58)60)106-83(133)64(39-56-20-9-5-10-21-56)104-82(132)63(38-55-18-7-4-8-19-55)105-85(135)67(42-71(94)120)107-80(130)62(103-88(69)138)27-17-29-97-92(95)96/h4-14,18-25,43,52-54,61-70,77-78,98,117-119H,15-17,26-42,44-51,93H2,1-3H3,(H2,94,120)(H,99,129)(H,100,122)(H,101,121)(H,102,134)(H,103,138)(H,104,132)(H,105,135)(H,106,133)(H,107,130)(H,108,139)(H,109,140)(H,110,137)(H,111,131)(H,112,136)(H,123,124)(H,125,126)(H,127,128)(H,141,142)(H4,95,96,97)/t52-,53+,54+,61-,62-,63-,64-,65-,66+,67-,68-,69-,70+,77-,78-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



INRASTES

Curated by ChEMBL


Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST2 receptor expressed in Chinese hamster CCL-39 cells after 2 hrs by autoradiographic analysis

Eur J Med Chem 73: 30-7 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))		BDBM50496020
PNG
(CHEMBL3122127)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O)C(O)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)[C@@H](C)O |r|
Show InChI InChI=1S/C92H130N24O26S2/c1-52(100-73(122)45-113-30-32-114(46-74(123)124)34-36-116(48-76(127)128)37-35-115(33-31-113)47-75(125)126)79(129)99-44-72(121)101-69-50-143-144-51-70(91(141)142)110-87(137)68(49-117)109-90(140)78(54(3)119)112-86(136)65(40-57-22-11-6-12-23-57)108-89(139)77(53(2)118)111-81(131)61(26-15-16-28-93)102-84(134)66(41-58-43-98-60-25-14-13-24-59(58)60)106-83(133)64(39-56-20-9-5-10-21-56)104-82(132)63(38-55-18-7-4-8-19-55)105-85(135)67(42-71(94)120)107-80(130)62(103-88(69)138)27-17-29-97-92(95)96/h4-14,18-25,43,52-54,61-70,77-78,98,117-119H,15-17,26-42,44-51,93H2,1-3H3,(H2,94,120)(H,99,129)(H,100,122)(H,101,121)(H,102,134)(H,103,138)(H,104,132)(H,105,135)(H,106,133)(H,107,130)(H,108,139)(H,109,140)(H,110,137)(H,111,131)(H,112,136)(H,123,124)(H,125,126)(H,127,128)(H,141,142)(H4,95,96,97)/t52-,53+,54+,61-,62-,63-,64-,65-,66+,67-,68-,69-,70+,77-,78-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.80n/an/an/an/an/an/a



INRASTES

Curated by ChEMBL


Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST4 receptor expressed in Chinese hamster CCL-39 cells after 2 hrs by autoradiographic analysis

Eur J Med Chem 73: 30-7 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75
More data for this
Ligand-Target Pair