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PubMed code 26396679

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
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
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50131815
PNG
(CHEMBL3634608)
Show SMILES CC(C)COc1ncc(cc1Cl)-c1cccc2cc3c(NS(=O)(=O)C4CC4)noc3cc12
Show InChI InChI=1S/C23H22ClN3O4S/c1-13(2)12-30-23-20(24)9-15(11-25-23)17-5-3-4-14-8-19-21(10-18(14)17)31-26-22(19)27-32(28,29)16-6-7-16/h3-5,8-11,13,16H,6-7,12H2,1-2H3,(H,26,27)
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Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 by patch-clamp assay


ACS Med Chem Lett 6: 956-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00312
BindingDB Entry DOI: 10.7270/Q2JD4ZNB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50132410
PNG
(CHEMBL3634604)
Show SMILES CC1(COc2ncc(cc2Cl)N2C(=O)C3(CC3)c3cc4c(NS(=O)(=O)C5CC5)noc4cc23)CC1
Show InChI InChI=1S/C24H23ClN4O5S/c1-23(4-5-23)12-33-21-17(25)8-13(11-26-21)29-18-10-19-15(9-16(18)24(6-7-24)22(29)30)20(27-34-19)28-35(31,32)14-2-3-14/h8-11,14H,2-7,12H2,1H3,(H,27,28)
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Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
inhibitory concentration needed to to reduce the bovine GGTase-catalyzed incorporation of [3H]-FPP into a biotin-linked K-ras (B) decapeptide


ACS Med Chem Lett 6: 956-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00312
BindingDB Entry DOI: 10.7270/Q2JD4ZNB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50131818
PNG
(CHEMBL3634605)
Show SMILES Clc1cc(cnc1OCC1CCCC1)N1C(=O)C2(CC2)c2cc3c(NS(=O)(=O)C4CC4)noc3cc12
Show InChI InChI=1S/C25H25ClN4O5S/c26-19-9-15(12-27-23(19)34-13-14-3-1-2-4-14)30-20-11-21-17(10-18(20)25(7-8-25)24(30)31)22(28-35-21)29-36(32,33)16-5-6-16/h9-12,14,16H,1-8,13H2,(H,28,29)
PDB

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Article
PubMed
n/an/a 90n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into biotin-linked K-ras decapeptide (CVIM) by bovine farnesyltransferase


ACS Med Chem Lett 6: 956-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00312
BindingDB Entry DOI: 10.7270/Q2JD4ZNB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50132471
PNG
(CHEMBL3634603)
Show SMILES CC(C)COc1ncc(cc1Cl)N1C(=O)C2(CC2)c2cc3c(NS(C)(=O)=O)noc3cc12
Show InChI InChI=1S/C21H21ClN4O5S/c1-11(2)10-30-19-15(22)6-12(9-23-19)26-16-8-17-13(18(24-31-17)25-32(3,28)29)7-14(16)21(4-5-21)20(26)27/h6-9,11H,4-5,10H2,1-3H3,(H,24,25)
PDB

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
inhibitory concentration needed to to reduce the bovine GGTase-catalyzed incorporation of [3H]-FPP into a biotin-linked K-ras (B) decapeptide


ACS Med Chem Lett 6: 956-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00312
BindingDB Entry DOI: 10.7270/Q2JD4ZNB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50131817
PNG
(CHEMBL3634606)
Show SMILES CC(C)COc1ncc(cc1Cl)-c1nn(C)c2cc3c(NS(=O)(=O)C4CC4)noc3cc12
Show InChI InChI=1S/C21H22ClN5O4S/c1-11(2)10-30-21-16(22)6-12(9-23-21)19-14-8-18-15(7-17(14)27(3)24-19)20(25-31-18)26-32(28,29)13-4-5-13/h6-9,11,13H,4-5,10H2,1-3H3,(H,25,26)
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 by patch-clamp assay


ACS Med Chem Lett 6: 956-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00312
BindingDB Entry DOI: 10.7270/Q2JD4ZNB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50131816
PNG
(CHEMBL3634607)
Show SMILES CC(C)COc1ncc(cc1Cl)-c1cncc2cc3c(NS(C)(=O)=O)noc3cc12
Show InChI InChI=1S/C20H19ClN4O4S/c1-11(2)10-28-20-17(21)5-13(8-23-20)16-9-22-7-12-4-15-18(6-14(12)16)29-24-19(15)25-30(3,26)27/h4-9,11H,10H2,1-3H3,(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.36E+3n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 by patch-clamp assay


ACS Med Chem Lett 6: 956-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00312
BindingDB Entry DOI: 10.7270/Q2JD4ZNB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%