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BDBM50154521 CHEMBL3775532

SMILES: Fc1ccc(cc1F)-c1c[nH]c(n1)[C@H]1Cc2c([nH]c3ccccc23)[C@H](N1)C1CCOCC1

InChI Key: InChIKey=ZLYIXARJBBRFDR-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 = 50154521   
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)
BDBM50154521
PNG
(CHEMBL3775532)
Show SMILES Fc1ccc(cc1F)-c1c[nH]c(n1)[C@H]1Cc2c([nH]c3ccccc23)[C@H](N1)C1CCOCC1 |r|
Show InChI InChI=1S/C25H24F2N4O/c26-18-6-5-15(11-19(18)27)22-13-28-25(31-22)21-12-17-16-3-1-2-4-20(16)29-24(17)23(30-21)14-7-9-32-10-8-14/h1-6,11,13-14,21,23,29-30H,7-10,12H2,(H,28,31)/t21-,23-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 350n/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)


BindingDB Entry DOI: 10.7270/Q2ZG6V4J
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50154521
PNG
(CHEMBL3775532)
Show SMILES Fc1ccc(cc1F)-c1c[nH]c(n1)[C@H]1Cc2c([nH]c3ccccc23)[C@H](N1)C1CCOCC1 |r|
Show InChI InChI=1S/C25H24F2N4O/c26-18-6-5-15(11-19(18)27)22-13-28-25(31-22)21-12-17-16-3-1-2-4-20(16)29-24(17)23(30-21)14-7-9-32-10-8-14/h1-6,11,13-14,21,23,29-30H,7-10,12H2,(H,28,31)/t21-,23-/m1/s1
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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.80n/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)


BindingDB Entry DOI: 10.7270/Q2ZG6V4J
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50154521
PNG
(CHEMBL3775532)
Show SMILES Fc1ccc(cc1F)-c1c[nH]c(n1)[C@H]1Cc2c([nH]c3ccccc23)[C@H](N1)C1CCOCC1 |r|
Show InChI InChI=1S/C25H24F2N4O/c26-18-6-5-15(11-19(18)27)22-13-28-25(31-22)21-12-17-16-3-1-2-4-20(16)29-24(17)23(30-21)14-7-9-32-10-8-14/h1-6,11,13-14,21,23,29-30H,7-10,12H2,(H,28,31)/t21-,23-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 6.40n/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)


BindingDB Entry DOI: 10.7270/Q2ZG6V4J
More data for this
Ligand-Target Pair