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BDBM50154517 CHEMBL3775284

SMILES: C1CC(CCO1)[C@H]1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1csc2ccccc12

InChI Key: InChIKey=PAQMBKGYCRJEDT-RCZVLFRGSA-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 = 50154517   
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)
BDBM50154517
PNG
(CHEMBL3775284)
Show SMILES C1CC(CCO1)[C@H]1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1csc2ccccc12
Show InChI InChI=1S/C27H26N4OS/c1-3-7-21-17(5-1)19-13-22(30-25(26(19)29-21)16-9-11-32-12-10-16)27-28-14-23(31-27)20-15-33-24-8-4-2-6-18(20)24/h1-8,14-16,22,25,29-30H,9-13H2,(H,28,31)/t22-,25-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 87n/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))
BDBM50154517
PNG
(CHEMBL3775284)
Show SMILES C1CC(CCO1)[C@H]1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1csc2ccccc12
Show InChI InChI=1S/C27H26N4OS/c1-3-7-21-17(5-1)19-13-22(30-25(26(19)29-21)16-9-11-32-12-10-16)27-28-14-23(31-27)20-15-33-24-8-4-2-6-18(20)24/h1-8,14-16,22,25,29-30H,9-13H2,(H,28,31)/t22-,25-/m1/s1
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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/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))
BDBM50154517
PNG
(CHEMBL3775284)
Show SMILES C1CC(CCO1)[C@H]1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1csc2ccccc12
Show InChI InChI=1S/C27H26N4OS/c1-3-7-21-17(5-1)19-13-22(30-25(26(19)29-21)16-9-11-32-12-10-16)27-28-14-23(31-27)20-15-33-24-8-4-2-6-18(20)24/h1-8,14-16,22,25,29-30H,9-13H2,(H,28,31)/t22-,25-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 11n/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