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BDBM50468146 CHEMBL4285917

SMILES: OC(=O)c1ccc(cc1)N1CC2(CCN(Cc3cc(c(Cl)cc3C3CC3)C(F)(F)F)CC2)OC1=O

InChI Key: InChIKey=BZFUCKCMPOQIKK-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 = 50468146   
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))
BDBM50468146
PNG
(CHEMBL4285917)
Show SMILES OC(=O)c1ccc(cc1)N1CC2(CCN(Cc3cc(c(Cl)cc3C3CC3)C(F)(F)F)CC2)OC1=O
Show InChI InChI=1S/C25H24ClF3N2O4/c26-21-12-19(15-1-2-15)17(11-20(21)25(27,28)29)13-30-9-7-24(8-10-30)14-31(23(34)35-24)18-5-3-16(4-6-18)22(32)33/h3-6,11-12,15H,1-2,7-10,13-14H2,(H,32,33)
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.700n/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)
BDBM50468146
PNG
(CHEMBL4285917)
Show SMILES OC(=O)c1ccc(cc1)N1CC2(CCN(Cc3cc(c(Cl)cc3C3CC3)C(F)(F)F)CC2)OC1=O
Show InChI InChI=1S/C25H24ClF3N2O4/c26-21-12-19(15-1-2-15)17(11-20(21)25(27,28)29)13-30-9-7-24(8-10-30)14-31(23(34)35-24)18-5-3-16(4-6-18)22(32)33/h3-6,11-12,15H,1-2,7-10,13-14H2,(H,32,33)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 57n/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))
BDBM50468146
PNG
(CHEMBL4285917)
Show SMILES OC(=O)c1ccc(cc1)N1CC2(CCN(Cc3cc(c(Cl)cc3C3CC3)C(F)(F)F)CC2)OC1=O
Show InChI InChI=1S/C25H24ClF3N2O4/c26-21-12-19(15-1-2-15)17(11-20(21)25(27,28)29)13-30-9-7-24(8-10-30)14-31(23(34)35-24)18-5-3-16(4-6-18)22(32)33/h3-6,11-12,15H,1-2,7-10,13-14H2,(H,32,33)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.400n/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