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BDBM50317407 5-(Aminosulfonyl)-N-(3-methoxypropyl)-2-[(2,3,5,6-tetrafluorophenyl)thio]nicotinamide::CHEMBL1099137

SMILES: COCCCNC(=O)c1cc(cnc1Sc1c(F)c(F)cc(F)c1F)S(N)(=O)=O

InChI Key: InChIKey=VGMNBWJHGVEWGS-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50317407   
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
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50317407
PNG
(5-(Aminosulfonyl)-N-(3-methoxypropyl)-2-[(2,3,5,6-...)
Show SMILES COCCCNC(=O)c1cc(cnc1Sc1c(F)c(F)cc(F)c1F)S(N)(=O)=O
Show InChI InChI=1S/C16H15F4N3O4S2/c1-27-4-2-3-22-15(24)9-5-8(29(21,25)26)7-23-16(9)28-14-12(19)10(17)6-11(18)13(14)20/h5-7H,2-4H2,1H3,(H,22,24)(H2,21,25,26)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase 4


Bioorg Med Chem 18: 3307-19 (2010)


Article DOI: 10.1016/j.bmc.2010.03.014
BindingDB Entry DOI: 10.7270/Q2SQ91B9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50317407
PNG
(5-(Aminosulfonyl)-N-(3-methoxypropyl)-2-[(2,3,5,6-...)
Show SMILES COCCCNC(=O)c1cc(cnc1Sc1c(F)c(F)cc(F)c1F)S(N)(=O)=O
Show InChI InChI=1S/C16H15F4N3O4S2/c1-27-4-2-3-22-15(24)9-5-8(29(21,25)26)7-23-16(9)28-14-12(19)10(17)6-11(18)13(14)20/h5-7H,2-4H2,1H3,(H,22,24)(H2,21,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10.6n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase 2


Bioorg Med Chem 18: 3307-19 (2010)


Article DOI: 10.1016/j.bmc.2010.03.014
BindingDB Entry DOI: 10.7270/Q2SQ91B9
More data for this
Ligand-Target Pair