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BDBM50389593 CHEMBL2069505

SMILES: C1CC(CCS1)C1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1

InChI Key: InChIKey=LRRPBUZCJGWMNN-FKHAVUOCSA-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 = 50389593   
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))
BDBM50389593
PNG
(CHEMBL2069505)
Show SMILES C1CC(CCS1)C1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H26N4S/c1-2-6-16(7-3-1)22-15-26-25(29-22)21-14-19-18-8-4-5-9-20(18)27-24(19)23(28-21)17-10-12-30-13-11-17/h1-9,15,17,21,23,27-28H,10-14H2,(H,26,29)/t21-,23?/m1/s1
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Article
PubMed
n/an/a 10n/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))
BDBM50389593
PNG
(CHEMBL2069505)
Show SMILES C1CC(CCS1)C1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H26N4S/c1-2-6-16(7-3-1)22-15-26-25(29-22)21-14-19-18-8-4-5-9-20(18)27-24(19)23(28-21)17-10-12-30-13-11-17/h1-9,15,17,21,23,27-28H,10-14H2,(H,26,29)/t21-,23?/m1/s1
PDB
MMDB

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PC sid
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Article
PubMed
n/an/a 120n/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))
BDBM50389593
PNG
(CHEMBL2069505)
Show SMILES C1CC(CCS1)C1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H26N4S/c1-2-6-16(7-3-1)22-15-26-25(29-22)21-14-19-18-8-4-5-9-20(18)27-24(19)23(28-21)17-10-12-30-13-11-17/h1-9,15,17,21,23,27-28H,10-14H2,(H,26,29)/t21-,23?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70n/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