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BDBM50054457 CHEMBL3323072

SMILES: CCOC(=O)c1cccc(n1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1

InChI Key: InChIKey=SEOMUFTWAUVWQZ-VOIYJKQUNA-N

Data: 5 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 5 hits for monomerid = 50054457   
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 3


(MOUSE)
BDBM50054457
PNG
(CHEMBL3323072)
Show SMILES CCOC(=O)c1cccc(n1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1
Show InChI InChI=1/C32H28FN7O2/c1-3-42-31(41)25-9-6-10-28(36-25)32(20-16-35-40(2)18-20)29-23(22-7-4-5-8-24(22)37-29)15-26(39-32)30-34-17-27(38-30)19-11-13-21(33)14-12-19/h4-14,16-18,26,37,39H,3,15H2,1-2H3,(H,34,38)/t26-,32+/s2
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Article
PubMed
n/an/a 0.410n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from mouse SSTR3 expressed in CHO cells by TopCount analyzer


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50054457
PNG
(CHEMBL3323072)
Show SMILES CCOC(=O)c1cccc(n1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1
Show InChI InChI=1/C32H28FN7O2/c1-3-42-31(41)25-9-6-10-28(36-25)32(20-16-35-40(2)18-20)29-23(22-7-4-5-8-24(22)37-29)15-26(39-32)30-34-17-27(38-30)19-11-13-21(33)14-12-19/h4-14,16-18,26,37,39H,3,15H2,1-2H3,(H,34,38)/t26-,32+/s2
PDB
MMDB

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PC sid
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Article
PubMed
n/an/a 707n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG by MK-499 displacement binding analysis


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50054457
PNG
(CHEMBL3323072)
Show SMILES CCOC(=O)c1cccc(n1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1
Show InChI InChI=1/C32H28FN7O2/c1-3-42-31(41)25-9-6-10-28(36-25)32(20-16-35-40(2)18-20)29-23(22-7-4-5-8-24(22)37-29)15-26(39-32)30-34-17-27(38-30)19-11-13-21(33)14-12-19/h4-14,16-18,26,37,39H,3,15H2,1-2H3,(H,34,38)/t26-,32+/s2
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PubMed
n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human SSTR3 expressed in CHO cells assessed as cAMP level by fluorescence analysis


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor 3


(MOUSE)
BDBM50054457
PNG
(CHEMBL3323072)
Show SMILES CCOC(=O)c1cccc(n1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1
Show InChI InChI=1/C32H28FN7O2/c1-3-42-31(41)25-9-6-10-28(36-25)32(20-16-35-40(2)18-20)29-23(22-7-4-5-8-24(22)37-29)15-26(39-32)30-34-17-27(38-30)19-11-13-21(33)14-12-19/h4-14,16-18,26,37,39H,3,15H2,1-2H3,(H,34,38)/t26-,32+/s2
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Article
PubMed
n/an/a 0.580n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at mouse SSTR3 expressed in CHO cells assessed as cAMP level by fluorescence analysis


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50054457
PNG
(CHEMBL3323072)
Show SMILES CCOC(=O)c1cccc(n1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1
Show InChI InChI=1/C32H28FN7O2/c1-3-42-31(41)25-9-6-10-28(36-25)32(20-16-35-40(2)18-20)29-23(22-7-4-5-8-24(22)37-29)15-26(39-32)30-34-17-27(38-30)19-11-13-21(33)14-12-19/h4-14,16-18,26,37,39H,3,15H2,1-2H3,(H,34,38)/t26-,32+/s2
Reactome pathway
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GoogleScholar
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PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.830n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from human SSTR3 expressed in CHO cells by TopCount analyzer


ACS Med Chem Lett 5: 748-53 (2014)


Article DOI: 10.1021/ml500028c
BindingDB Entry DOI: 10.7270/Q2NV9KXP
More data for this
Ligand-Target Pair