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BDBM50468160 CHEMBL4293458

SMILES: CC(C)n1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c2c(cccc12)-c1ccc(F)c(F)c1F

InChI Key: InChIKey=AIUHLNFYFFLWQE-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50468160   
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))
BDBM50468160
PNG
(CHEMBL4293458)
Show SMILES CC(C)n1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c2c(cccc12)-c1ccc(F)c(F)c1F
Show InChI InChI=1S/C32H30F3N3O4/c1-19(2)37-17-21(27-23(4-3-5-26(27)37)24-10-11-25(33)29(35)28(24)34)16-36-14-12-32(13-15-36)18-38(31(41)42-32)22-8-6-20(7-9-22)30(39)40/h3-11,17,19H,12-16,18H2,1-2H3,(H,39,40)
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [3-125I-Tyr11]-SRIF-14 or [3-125I-Tyr11]-SRIF-28 from human SSR5 expressed in CHOK1 cell membranes


ACS Med Chem Lett 9: 1088-1093 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00306
BindingDB Entry DOI: 10.7270/Q2V127H3
More data for this
Ligand-Target Pair
Somatostatin receptor


(Mus musculus)
BDBM50468160
PNG
(CHEMBL4293458)
Show SMILES CC(C)n1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c2c(cccc12)-c1ccc(F)c(F)c1F
Show InChI InChI=1S/C32H30F3N3O4/c1-19(2)37-17-21(27-23(4-3-5-26(27)37)24-10-11-25(33)29(35)28(24)34)16-36-14-12-32(13-15-36)18-38(31(41)42-32)22-8-6-20(7-9-22)30(39)40/h3-11,17,19H,12-16,18H2,1-2H3,(H,39,40)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at mouse SSR5 expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP accumulation preincubated for 15 mins fol...


ACS Med Chem Lett 9: 1088-1093 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00306
BindingDB Entry DOI: 10.7270/Q2V127H3
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50468160
PNG
(CHEMBL4293458)
Show SMILES CC(C)n1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c2c(cccc12)-c1ccc(F)c(F)c1F
Show InChI InChI=1S/C32H30F3N3O4/c1-19(2)37-17-21(27-23(4-3-5-26(27)37)24-10-11-25(33)29(35)28(24)34)16-36-14-12-32(13-15-36)18-38(31(41)42-32)22-8-6-20(7-9-22)30(39)40/h3-11,17,19H,12-16,18H2,1-2H3,(H,39,40)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human SSR5 expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP accumulation preincubated for 15 mins fol...


ACS Med Chem Lett 9: 1088-1093 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00306
BindingDB Entry DOI: 10.7270/Q2V127H3
More data for this
Ligand-Target Pair