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4 similar compounds to monomer 50234559

Compile data set for download or QSAR
Wt: 492.3
BDBM50234538
Wt: 514.3
BDBM50234539
Wt: 530.7
BDBM50234541
Wt: 562.3
BDBM50234542

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50234538,50234539,50234541,50234542   
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
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50234538
PNG
(CHEMBL4078996)
Show SMILES Cc1cccc(c1)-c1ccc2n(nc(Cl)c2c1)-c1cc(F)c(cc1Cl)C(=O)NS(C)(=O)=O
Show InChI InChI=1S/C22H16Cl2FN3O3S/c1-12-4-3-5-13(8-12)14-6-7-19-16(9-14)21(24)26-28(19)20-11-18(25)15(10-17(20)23)22(29)27-32(2,30)31/h3-11H,1-2H3,(H,27,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 39n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells assessed as inhibition of peak current after 50 secs by automated patch clamp assay


ACS Med Chem Lett 8: 275-277 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00048
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50234542
PNG
(CHEMBL4101403)
Show SMILES CS(=O)(=O)NC(=O)c1cc(Cl)c(cc1F)-n1nc(Cl)c2cc(ccc12)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C22H13Cl2F4N3O4S/c1-36(33,34)30-21(32)14-9-16(23)19(10-17(14)25)31-18-7-4-12(8-15(18)20(24)29-31)11-2-5-13(6-3-11)35-22(26,27)28/h2-10H,1H3,(H,30,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells assessed as inhibition of peak current after 50 secs by automated patch clamp assay


ACS Med Chem Lett 8: 275-277 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00048
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50234541
PNG
(CHEMBL4082263)
Show SMILES CS(=O)(=O)NC(=O)c1cc(Cl)c(cc1F)-n1nc(Cl)c2cc(ccc12)-c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C21H12Cl3F2N3O3S/c1-33(31,32)28-21(30)12-8-15(23)19(9-16(12)25)29-18-5-3-10(6-13(18)20(24)27-29)11-2-4-14(22)17(26)7-11/h2-9H,1H3,(H,28,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells assessed as inhibition of peak current after 50 secs by automated patch clamp assay


ACS Med Chem Lett 8: 275-277 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00048
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50234539
PNG
(CHEMBL4064458)
Show SMILES CS(=O)(=O)NC(=O)c1cc(Cl)c(cc1F)-n1nc(Cl)c2cc(ccc12)-c1cc(F)ccc1F
Show InChI InChI=1S/C21H12Cl2F3N3O3S/c1-33(31,32)28-21(30)13-8-15(22)19(9-17(13)26)29-18-5-2-10(6-14(18)20(23)27-29)12-7-11(24)3-4-16(12)25/h2-9H,1H3,(H,28,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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



Temple University

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells assessed as inhibition of peak current after 50 secs by automated patch clamp assay


ACS Med Chem Lett 8: 275-277 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00048
More data for this
Ligand-Target Pair