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BDBM50154524 CHEMBL3775456

SMILES: FC(F)(F)Oc1cccc(c1)-c1c[nH]c(n1)[C@H]1Cc2c([nH]c3ccccc23)[C@H](N1)C1CCOCC1

InChI Key: InChIKey=PORAWELIIZSLJF-FYYLOGMGSA-N

Data: 2 IC50  1 EC50

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 = 50154524   
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
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50154524
PNG
(CHEMBL3775456)
Show SMILES FC(F)(F)Oc1cccc(c1)-c1c[nH]c(n1)[C@H]1Cc2c([nH]c3ccccc23)[C@H](N1)C1CCOCC1
Show InChI InChI=1S/C26H25F3N4O2/c27-26(28,29)35-17-5-3-4-16(12-17)22-14-30-25(33-22)21-13-19-18-6-1-2-7-20(18)31-24(19)23(32-21)15-8-10-34-11-9-15/h1-7,12,14-15,21,23,31-32H,8-11,13H2,(H,30,33)/t21-,23-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 58n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 26: 1529-35 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.022
BindingDB Entry DOI: 10.7270/Q2ZG6V4J
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50154524
PNG
(CHEMBL3775456)
Show SMILES FC(F)(F)Oc1cccc(c1)-c1c[nH]c(n1)[C@H]1Cc2c([nH]c3ccccc23)[C@H](N1)C1CCOCC1
Show InChI InChI=1S/C26H25F3N4O2/c27-26(28,29)35-17-5-3-4-16(12-17)22-14-30-25(33-22)21-13-19-18-6-1-2-7-20(18)31-24(19)23(32-21)15-8-10-34-11-9-15/h1-7,12,14-15,21,23,31-32H,8-11,13H2,(H,30,33)/t21-,23-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 43n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human somatostatin receptor type 3


Bioorg Med Chem Lett 26: 1529-35 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.022
BindingDB Entry DOI: 10.7270/Q2ZG6V4J
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50154524
PNG
(CHEMBL3775456)
Show SMILES FC(F)(F)Oc1cccc(c1)-c1c[nH]c(n1)[C@H]1Cc2c([nH]c3ccccc23)[C@H](N1)C1CCOCC1
Show InChI InChI=1S/C26H25F3N4O2/c27-26(28,29)35-17-5-3-4-16(12-17)22-14-30-25(33-22)21-13-19-18-6-1-2-7-20(18)31-24(19)23(32-21)15-8-10-34-11-9-15/h1-7,12,14-15,21,23,31-32H,8-11,13H2,(H,30,33)/t21-,23-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human somatostatin receptor type 3 assessed as inhibition of cAMP levels


Bioorg Med Chem Lett 26: 1529-35 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.022
BindingDB Entry DOI: 10.7270/Q2ZG6V4J
More data for this
Ligand-Target Pair