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BDBM50317400 5-(Aminosulfonyl)-N-(3-methoxypropyl)-2-(phenylthio)-nicotinamide::CHEMBL1099124::N-(3-methoxypropyl)-2-(phenylsulfanyl)-5-sulfamoylpyridine-3-carboxamide

SMILES: COCCCNC(=O)c1cc(cnc1Sc1ccccc1)S(N)(=O)=O

InChI Key: InChIKey=YFGZGDDAWQULRR-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50317400   
Target
(Institution)
LigandTarget
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 2


(Homo sapiens (human))
BDBM50317400
PNG
(5-(Aminosulfonyl)-N-(3-methoxypropyl)-2-(phenylthi...)
Show SMILES COCCCNC(=O)c1cc(cnc1Sc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C16H19N3O4S2/c1-23-9-5-8-18-15(20)14-10-13(25(17,21)22)11-19-16(14)24-12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,18,20)(H2,17,21,22)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 48n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase 2


Bioorg Med Chem 18: 3307-19 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (human))
BDBM50317400
PNG
(5-(Aminosulfonyl)-N-(3-methoxypropyl)-2-(phenylthi...)
Show SMILES COCCCNC(=O)c1cc(cnc1Sc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C16H19N3O4S2/c1-23-9-5-8-18-15(20)14-10-13(25(17,21)22)11-19-16(14)24-12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,18,20)(H2,17,21,22)
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
MMDB
PDB
Article
PubMed
n/an/a 246n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase 4


Bioorg Med Chem 18: 3307-19 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)