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BDBM50468157 CHEMBL4289661

SMILES: CC(C)n1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c2c(ccnc12)-c1ccc(F)cc1

InChI Key: InChIKey=MANHHKXAGHXOPU-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 = 50468157   
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


(Mus musculus)
BDBM50468157
PNG
(CHEMBL4289661)
Show SMILES CC(C)n1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c2c(ccnc12)-c1ccc(F)cc1
Show InChI InChI=1S/C31H31FN4O4/c1-20(2)35-18-23(27-26(11-14-33-28(27)35)21-3-7-24(32)8-4-21)17-34-15-12-31(13-16-34)19-36(30(39)40-31)25-9-5-22(6-10-25)29(37)38/h3-11,14,18,20H,12-13,15-17,19H2,1-2H3,(H,37,38)
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UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 17n/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))
BDBM50468157
PNG
(CHEMBL4289661)
Show SMILES CC(C)n1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c2c(ccnc12)-c1ccc(F)cc1
Show InChI InChI=1S/C31H31FN4O4/c1-20(2)35-18-23(27-26(11-14-33-28(27)35)21-3-7-24(32)8-4-21)17-34-15-12-31(13-16-34)19-36(30(39)40-31)25-9-5-22(6-10-25)29(37)38/h3-11,14,18,20H,12-13,15-17,19H2,1-2H3,(H,37,38)
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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
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50468157
PNG
(CHEMBL4289661)
Show SMILES CC(C)n1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c2c(ccnc12)-c1ccc(F)cc1
Show InChI InChI=1S/C31H31FN4O4/c1-20(2)35-18-23(27-26(11-14-33-28(27)35)21-3-7-24(32)8-4-21)17-34-15-12-31(13-16-34)19-36(30(39)40-31)25-9-5-22(6-10-25)29(37)38/h3-11,14,18,20H,12-13,15-17,19H2,1-2H3,(H,37,38)
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
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