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Compile Data Set for Download or QSAR

Found 6 hits of ic50 for monomerid = 50513930   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Voltage-dependent L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))
BDBM50513930
PNG
(CHEMBL4543991)
Show SMILES [H][C@]12O[C@H](CF)[C@@H](O)[C@H](O)[C@@]1([H])N=C(NCC)S2 |r,t:13|
Show InChI InChI=1S/C9H15FN2O3S/c1-2-11-9-12-5-7(14)6(13)4(3-10)15-8(5)16-9/h4-8,13-14H,2-3H2,1H3,(H,11,12)/t4-,5-,6-,7-,8-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of Cav1.2 (unknown origin)


J Med Chem 62: 10062-10097 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01090
BindingDB Entry DOI: 10.7270/Q21G0QMH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50513930
PNG
(CHEMBL4543991)
Show SMILES [H][C@]12O[C@H](CF)[C@@H](O)[C@H](O)[C@@]1([H])N=C(NCC)S2 |r,t:13|
Show InChI InChI=1S/C9H15FN2O3S/c1-2-11-9-12-5-7(14)6(13)4(3-10)15-8(5)16-9/h4-8,13-14H,2-3H2,1H3,(H,11,12)/t4-,5-,6-,7-,8-/m1/s1
PDB
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of MK-0499 from human ERG


J Med Chem 62: 10062-10097 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01090
BindingDB Entry DOI: 10.7270/Q21G0QMH
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50513930
PNG
(CHEMBL4543991)
Show SMILES [H][C@]12O[C@H](CF)[C@@H](O)[C@H](O)[C@@]1([H])N=C(NCC)S2 |r,t:13|
Show InChI InChI=1S/C9H15FN2O3S/c1-2-11-9-12-5-7(14)6(13)4(3-10)15-8(5)16-9/h4-8,13-14H,2-3H2,1H3,(H,11,12)/t4-,5-,6-,7-,8-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.5 (unknown origin)


J Med Chem 62: 10062-10097 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01090
BindingDB Entry DOI: 10.7270/Q21G0QMH
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50513930
PNG
(CHEMBL4543991)
Show SMILES [H][C@]12O[C@H](CF)[C@@H](O)[C@H](O)[C@@]1([H])N=C(NCC)S2 |r,t:13|
Show InChI InChI=1S/C9H15FN2O3S/c1-2-11-9-12-5-7(14)6(13)4(3-10)15-8(5)16-9/h4-8,13-14H,2-3H2,1H3,(H,11,12)/t4-,5-,6-,7-,8-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


J Med Chem 62: 10062-10097 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01090
BindingDB Entry DOI: 10.7270/Q21G0QMH
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50513930
PNG
(CHEMBL4543991)
Show SMILES [H][C@]12O[C@H](CF)[C@@H](O)[C@H](O)[C@@]1([H])N=C(NCC)S2 |r,t:13|
Show InChI InChI=1S/C9H15FN2O3S/c1-2-11-9-12-5-7(14)6(13)4(3-10)15-8(5)16-9/h4-8,13-14H,2-3H2,1H3,(H,11,12)/t4-,5-,6-,7-,8-/m1/s1
PDB
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PC cid
PC sid
UniChem
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


J Med Chem 62: 10062-10097 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01090
BindingDB Entry DOI: 10.7270/Q21G0QMH
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50513930
PNG
(CHEMBL4543991)
Show SMILES [H][C@]12O[C@H](CF)[C@@H](O)[C@H](O)[C@@]1([H])N=C(NCC)S2 |r,t:13|
Show InChI InChI=1S/C9H15FN2O3S/c1-2-11-9-12-5-7(14)6(13)4(3-10)15-8(5)16-9/h4-8,13-14H,2-3H2,1H3,(H,11,12)/t4-,5-,6-,7-,8-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


J Med Chem 62: 10062-10097 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01090
BindingDB Entry DOI: 10.7270/Q21G0QMH
More data for this
Ligand-Target Pair