BindingDB logo
myBDB logout

BDBM50379001 CHEMBL2011462

SMILES: CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O

InChI Key: InChIKey=RLJBXZMGMNTLBQ-GOSPLTSISA-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 = 50379001   
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))
BDBM50379001
PNG
(CHEMBL2011462)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O |r|
Show InChI InChI=1S/C45H58N8O7/c1-27(2)39-43(58)50-36(23-29-13-7-6-8-14-29)44(59)52(4)28(3)40(55)49-37(24-30-18-20-32(54)21-19-30)45(60)53(5)38(25-31-26-47-34-16-10-9-15-33(31)34)42(57)48-35(41(56)51-39)17-11-12-22-46/h6-10,13-16,18-21,26-28,35-39,47,54H,11-12,17,22-25,46H2,1-5H3,(H,48,57)(H,49,55)(H,50,58)(H,51,56)/t28-,35-,36-,37-,38+,39-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 126n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human sst5 by in vitro receptor autoradiography assay


ACS Med Chem Lett 2: 509-514 (2011)


Article DOI: 10.1021/ml200032v
BindingDB Entry DOI: 10.7270/Q2HQ40WP
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50379001
PNG
(CHEMBL2011462)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O |r|
Show InChI InChI=1S/C45H58N8O7/c1-27(2)39-43(58)50-36(23-29-13-7-6-8-14-29)44(59)52(4)28(3)40(55)49-37(24-30-18-20-32(54)21-19-30)45(60)53(5)38(25-31-26-47-34-16-10-9-15-33(31)34)42(57)48-35(41(56)51-39)17-11-12-22-46/h6-10,13-16,18-21,26-28,35-39,47,54H,11-12,17,22-25,46H2,1-5H3,(H,48,57)(H,49,55)(H,50,58)(H,51,56)/t28-,35-,36-,37-,38+,39-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human sst4 by in vitro receptor autoradiography assay


ACS Med Chem Lett 2: 509-514 (2011)


Article DOI: 10.1021/ml200032v
BindingDB Entry DOI: 10.7270/Q2HQ40WP
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50379001
PNG
(CHEMBL2011462)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O |r|
Show InChI InChI=1S/C45H58N8O7/c1-27(2)39-43(58)50-36(23-29-13-7-6-8-14-29)44(59)52(4)28(3)40(55)49-37(24-30-18-20-32(54)21-19-30)45(60)53(5)38(25-31-26-47-34-16-10-9-15-33(31)34)42(57)48-35(41(56)51-39)17-11-12-22-46/h6-10,13-16,18-21,26-28,35-39,47,54H,11-12,17,22-25,46H2,1-5H3,(H,48,57)(H,49,55)(H,50,58)(H,51,56)/t28-,35-,36-,37-,38+,39-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human sst1 by in vitro receptor autoradiography assay


ACS Med Chem Lett 2: 509-514 (2011)


Article DOI: 10.1021/ml200032v
BindingDB Entry DOI: 10.7270/Q2HQ40WP
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50379001
PNG
(CHEMBL2011462)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O |r|
Show InChI InChI=1S/C45H58N8O7/c1-27(2)39-43(58)50-36(23-29-13-7-6-8-14-29)44(59)52(4)28(3)40(55)49-37(24-30-18-20-32(54)21-19-30)45(60)53(5)38(25-31-26-47-34-16-10-9-15-33(31)34)42(57)48-35(41(56)51-39)17-11-12-22-46/h6-10,13-16,18-21,26-28,35-39,47,54H,11-12,17,22-25,46H2,1-5H3,(H,48,57)(H,49,55)(H,50,58)(H,51,56)/t28-,35-,36-,37-,38+,39-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human sst2 by in vitro receptor autoradiography assay


ACS Med Chem Lett 2: 509-514 (2011)


Article DOI: 10.1021/ml200032v
BindingDB Entry DOI: 10.7270/Q2HQ40WP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50379001
PNG
(CHEMBL2011462)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O |r|
Show InChI InChI=1S/C45H58N8O7/c1-27(2)39-43(58)50-36(23-29-13-7-6-8-14-29)44(59)52(4)28(3)40(55)49-37(24-30-18-20-32(54)21-19-30)45(60)53(5)38(25-31-26-47-34-16-10-9-15-33(31)34)42(57)48-35(41(56)51-39)17-11-12-22-46/h6-10,13-16,18-21,26-28,35-39,47,54H,11-12,17,22-25,46H2,1-5H3,(H,48,57)(H,49,55)(H,50,58)(H,51,56)/t28-,35-,36-,37-,38+,39-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 205n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human sst3 by in vitro receptor autoradiography assay


ACS Med Chem Lett 2: 509-514 (2011)


Article DOI: 10.1021/ml200032v
BindingDB Entry DOI: 10.7270/Q2HQ40WP
More data for this
Ligand-Target Pair