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BDBM50059088 (3S,6R,9S,12R,15S,18R)-18-Amino-9-(4-amino-butyl)-15-benzyl-6-((R)-1-hydroxy-ethyl)-12-(1H-indol-3-ylmethyl)-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaaza-cyclononadecane-3-carboxylic acid::CHEMBL306702

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](N)CSC[C@@H](NC1=O)C(O)=O

InChI Key: InChIKey=UVIRGNNFCYBSOY-AVTGEJSLSA-N

Data: 4 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 4 hits for monomerid = 50059088   
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
SSTR3


(MOUSE)
BDBM50059088
PNG
((3S,6R,9S,12R,15S,18R)-18-Amino-9-(4-amino-butyl)-...)
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](N)CSC[C@@H](NC1=O)C(O)=O
Show InChI InChI=1S/C36H48N8O8S/c1-20(45)30-35(50)43-29(36(51)52)19-53-18-24(38)31(46)41-27(15-21-9-3-2-4-10-21)33(48)42-28(16-22-17-39-25-12-6-5-11-23(22)25)34(49)40-26(32(47)44-30)13-7-8-14-37/h2-6,9-12,17,20,24,26-30,39,45H,7-8,13-16,18-19,37-38H2,1H3,(H,40,49)(H,41,46)(H,42,48)(H,43,50)(H,44,47)(H,51,52)/t20-,24+,26+,27+,28-,29-,30-/m1/s1
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UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Tested for inhibition of radioligand binding to cloned somatostatin receptor mSSTR3


J Med Chem 40: 2241-51 (1997)


Article DOI: 10.1021/jm960850i
BindingDB Entry DOI: 10.7270/Q2125TBX
More data for this
Ligand-Target Pair
SSTR5


(RAT)
BDBM50059088
PNG
((3S,6R,9S,12R,15S,18R)-18-Amino-9-(4-amino-butyl)-...)
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](N)CSC[C@@H](NC1=O)C(O)=O
Show InChI InChI=1S/C36H48N8O8S/c1-20(45)30-35(50)43-29(36(51)52)19-53-18-24(38)31(46)41-27(15-21-9-3-2-4-10-21)33(48)42-28(16-22-17-39-25-12-6-5-11-23(22)25)34(49)40-26(32(47)44-30)13-7-8-14-37/h2-6,9-12,17,20,24,26-30,39,45H,7-8,13-16,18-19,37-38H2,1H3,(H,40,49)(H,41,46)(H,42,48)(H,43,50)(H,44,47)(H,51,52)/t20-,24+,26+,27+,28-,29-,30-/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 500n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Tested for inhibition of radioligand binding to cloned somatostatin receptor rSSTR5


J Med Chem 40: 2241-51 (1997)


Article DOI: 10.1021/jm960850i
BindingDB Entry DOI: 10.7270/Q2125TBX
More data for this
Ligand-Target Pair
SSTR2


(MOUSE)
BDBM50059088
PNG
((3S,6R,9S,12R,15S,18R)-18-Amino-9-(4-amino-butyl)-...)
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](N)CSC[C@@H](NC1=O)C(O)=O
Show InChI InChI=1S/C36H48N8O8S/c1-20(45)30-35(50)43-29(36(51)52)19-53-18-24(38)31(46)41-27(15-21-9-3-2-4-10-21)33(48)42-28(16-22-17-39-25-12-6-5-11-23(22)25)34(49)40-26(32(47)44-30)13-7-8-14-37/h2-6,9-12,17,20,24,26-30,39,45H,7-8,13-16,18-19,37-38H2,1H3,(H,40,49)(H,41,46)(H,42,48)(H,43,50)(H,44,47)(H,51,52)/t20-,24+,26+,27+,28-,29-,30-/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Tested for inhibition of radioligand binding to cloned somatostatin receptor mSSTR2b


J Med Chem 40: 2241-51 (1997)


Article DOI: 10.1021/jm960850i
BindingDB Entry DOI: 10.7270/Q2125TBX
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50059088
PNG
((3S,6R,9S,12R,15S,18R)-18-Amino-9-(4-amino-butyl)-...)
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](N)CSC[C@@H](NC1=O)C(O)=O
Show InChI InChI=1S/C36H48N8O8S/c1-20(45)30-35(50)43-29(36(51)52)19-53-18-24(38)31(46)41-27(15-21-9-3-2-4-10-21)33(48)42-28(16-22-17-39-25-12-6-5-11-23(22)25)34(49)40-26(32(47)44-30)13-7-8-14-37/h2-6,9-12,17,20,24,26-30,39,45H,7-8,13-16,18-19,37-38H2,1H3,(H,40,49)(H,41,46)(H,42,48)(H,43,50)(H,44,47)(H,51,52)/t20-,24+,26+,27+,28-,29-,30-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Tested for inhibition of radioligand binding to cloned somatostatin receptor hSSTR4


J Med Chem 40: 2241-51 (1997)


Article DOI: 10.1021/jm960850i
BindingDB Entry DOI: 10.7270/Q2125TBX
More data for this
Ligand-Target Pair