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BDBM50389594 CHEMBL2069506

SMILES: O=S1CCC(CC1)C1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1

InChI Key: InChIKey=DFCUYQJNXQZEGT-HYMMBLMBSA-N

Data: 4 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 4 hits for monomerid = 50389594   
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 3


(Homo sapiens (Human))
BDBM50389594
PNG
(CHEMBL2069506)
Show SMILES O=S1CCC(CC1)C1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H26N4OS/c30-31-12-10-17(11-13-31)23-24-19(18-8-4-5-9-20(18)27-24)14-21(28-23)25-26-15-22(29-25)16-6-2-1-3-7-16/h1-9,15,17,21,23,27-28H,10-14H2,(H,26,29)/t17?,21-,23?,31?/m1/s1
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n/an/a 380n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human SST3 receptor expressed in CHO cells assessed as inhibition of forskolin/SS-14-stimulated cAMP accumulation preincubated...


ACS Med Chem Lett 3: 289-293 (2012)


Article DOI: 10.1021/ml200272z
BindingDB Entry DOI: 10.7270/Q2K938MH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50389594
PNG
(CHEMBL2069506)
Show SMILES O=S1CCC(CC1)C1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H26N4OS/c30-31-12-10-17(11-13-31)23-24-19(18-8-4-5-9-20(18)27-24)14-21(28-23)25-26-15-22(29-25)16-6-2-1-3-7-16/h1-9,15,17,21,23,27-28H,10-14H2,(H,26,29)/t17?,21-,23?,31?/m1/s1
PDB
MMDB

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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human Erg expressed in HEK293 cells after 60 mins by scintillation counting


ACS Med Chem Lett 3: 289-293 (2012)


Article DOI: 10.1021/ml200272z
BindingDB Entry DOI: 10.7270/Q2K938MH
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50389594
PNG
(CHEMBL2069506)
Show SMILES O=S1CCC(CC1)C1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H26N4OS/c30-31-12-10-17(11-13-31)23-24-19(18-8-4-5-9-20(18)27-24)14-21(28-23)25-26-15-22(29-25)16-6-2-1-3-7-16/h1-9,15,17,21,23,27-28H,10-14H2,(H,26,29)/t17?,21-,23?,31?/m1/s1
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PubMed
n/an/a 21n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from human SST3 receptor expressed in CHO cells after 60 mins by scintillation counting


ACS Med Chem Lett 3: 289-293 (2012)


Article DOI: 10.1021/ml200272z
BindingDB Entry DOI: 10.7270/Q2K938MH
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50389594
PNG
(CHEMBL2069506)
Show SMILES O=S1CCC(CC1)C1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H26N4OS/c30-31-12-10-17(11-13-31)23-24-19(18-8-4-5-9-20(18)27-24)14-21(28-23)25-26-15-22(29-25)16-6-2-1-3-7-16/h1-9,15,17,21,23,27-28H,10-14H2,(H,26,29)/t17?,21-,23?,31?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 21n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from human SST3 receptor expressed in CHO cells after 60 mins by scintillation counting


ACS Med Chem Lett 3: 289-293 (2012)


Article DOI: 10.1021/ml200272z
BindingDB Entry DOI: 10.7270/Q2K938MH
More data for this
Ligand-Target Pair