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2 similar compounds to monomer 50089941

Compile data set for download or QSAR
Wt: 523.9
BDBM50089953
Wt: 459.4
BDBM50089918

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50089953,50089918   
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))
BDBM50089918
PNG
(CHEMBL3581059)
Show SMILES CN1Cc2cc(ccc2Oc2ccc(cc12)C(F)(F)F)-c1cccc(n1)[C@H](O)[C@@H](O)C(N)=O
Show InChI InChI=1S/C23H20F3N3O4/c1-29-11-13-9-12(15-3-2-4-16(28-15)20(30)21(31)22(27)32)5-7-18(13)33-19-8-6-14(10-17(19)29)23(24,25)26/h2-10,20-21,30-31H,11H2,1H3,(H2,27,32)/t20-,21+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
920n/an/an/an/an/an/an/an/a



Purdue Pharma LP

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) by electrophysiological assay


Bioorg Med Chem Lett 25: 43-7 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.025
BindingDB Entry DOI: 10.7270/Q2GH9KPJ
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50089953
PNG
(CHEMBL3581175)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)ccc(N2CCN(CC2)C2CC2)c1Cl
Show InChI InChI=1S/C25H25Cl3N2O2S/c26-17-3-1-2-4-22(17)33-25-20(31)13-15(14-21(25)32)23-18(27)7-8-19(24(23)28)30-11-9-29(10-12-30)16-5-6-16/h1-4,7-8,15-16,31H,5-6,9-14H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 230n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 25: 75-82 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.008
BindingDB Entry DOI: 10.7270/Q2BR8TXC
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50089918
PNG
(CHEMBL3581059)
Show SMILES CN1Cc2cc(ccc2Oc2ccc(cc12)C(F)(F)F)-c1cccc(n1)[C@H](O)[C@@H](O)C(N)=O
Show InChI InChI=1S/C23H20F3N3O4/c1-29-11-13-9-12(15-3-2-4-16(28-15)20(30)21(31)22(27)32)5-7-18(13)33-19-8-6-14(10-17(19)29)23(24,25)26/h2-10,20-21,30-31H,11H2,1H3,(H2,27,32)/t20-,21+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.05E+3n/an/an/an/an/an/a



Purdue Pharma LP

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) expressed in CHO cells after 45 mins by FLIPR assay


Bioorg Med Chem Lett 25: 43-7 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.025
BindingDB Entry DOI: 10.7270/Q2GH9KPJ
More data for this
Ligand-Target Pair