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BDBM50054506 CHEMBL3323078

SMILES: CCOC(=O)c1ccc(nc1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1

InChI Key: InChIKey=YGHVDZPXFIJELZ-DICHSLLOSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50054506   
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))
BDBM50054506
PNG
(CHEMBL3323078)
Show SMILES CCOC(=O)c1ccc(nc1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
Show InChI InChI=1S/C32H28FN7O2/c1-3-42-31(41)20-10-13-28(34-15-20)32(21-16-36-40(2)18-21)29-24(23-6-4-5-7-25(23)37-29)14-26(39-32)30-35-17-27(38-30)19-8-11-22(33)12-9-19/h4-13,15-18,26,37,39H,3,14H2,1-2H3,(H,35,38)/t26-,32+/m1/s1
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Article
PubMed
n/an/a 1.70n/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
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50054506
PNG
(CHEMBL3323078)
Show SMILES CCOC(=O)c1ccc(nc1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
Show InChI InChI=1S/C32H28FN7O2/c1-3-42-31(41)20-10-13-28(34-15-20)32(21-16-36-40(2)18-21)29-24(23-6-4-5-7-25(23)37-29)14-26(39-32)30-35-17-27(38-30)19-8-11-22(33)12-9-19/h4-13,15-18,26,37,39H,3,14H2,1-2H3,(H,35,38)/t26-,32+/m1/s1
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Article
PubMed
n/an/a 5.30n/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)
BDBM50054506
PNG
(CHEMBL3323078)
Show SMILES CCOC(=O)c1ccc(nc1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
Show InChI InChI=1S/C32H28FN7O2/c1-3-42-31(41)20-10-13-28(34-15-20)32(21-16-36-40(2)18-21)29-24(23-6-4-5-7-25(23)37-29)14-26(39-32)30-35-17-27(38-30)19-8-11-22(33)12-9-19/h4-13,15-18,26,37,39H,3,14H2,1-2H3,(H,35,38)/t26-,32+/m1/s1
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Article
PubMed
n/an/a 1.5n/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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50054506
PNG
(CHEMBL3323078)
Show SMILES CCOC(=O)c1ccc(nc1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1 |r|
Show InChI InChI=1S/C32H28FN7O2/c1-3-42-31(41)20-10-13-28(34-15-20)32(21-16-36-40(2)18-21)29-24(23-6-4-5-7-25(23)37-29)14-26(39-32)30-35-17-27(38-30)19-8-11-22(33)12-9-19/h4-13,15-18,26,37,39H,3,14H2,1-2H3,(H,35,38)/t26-,32+/m1/s1
PDB
MMDB

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Article
PubMed
n/an/a 1.61E+3n/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