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BDBM50153970 4-(4,6-Diethoxy-[1,3,5]triazin-2-ylamino)-benzenesulfonamide::CHEMBL363543

SMILES: CCOc1nc(Nc2ccc(cc2)S(N)(=O)=O)nc(OCC)n1

InChI Key: InChIKey=WKRINZBUJBYXQU-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50153970   
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 9


(Homo sapiens (human))
BDBM50153970
PNG
(4-(4,6-Diethoxy-[1,3,5]triazin-2-ylamino)-benzenes...)
Show SMILES CCOc1nc(Nc2ccc(cc2)S(N)(=O)=O)nc(OCC)n1
Show InChI InChI=1S/C13H17N5O4S/c1-3-21-12-16-11(17-13(18-12)22-4-2)15-9-5-7-10(8-6-9)23(14,19)20/h5-8H,3-4H2,1-2H3,(H2,14,19,20)(H,15,16,17,18)
PDB
MMDB

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Article
PubMed
0.120n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase IX expressed in Escherichia coli BL21


Bioorg Med Chem Lett 14: 5427-33 (2004)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50153970
PNG
(4-(4,6-Diethoxy-[1,3,5]triazin-2-ylamino)-benzenes...)
Show SMILES CCOc1nc(Nc2ccc(cc2)S(N)(=O)=O)nc(OCC)n1
Show InChI InChI=1S/C13H17N5O4S/c1-3-21-12-16-11(17-13(18-12)22-4-2)15-9-5-7-10(8-6-9)23(14,19)20/h5-8H,3-4H2,1-2H3,(H2,14,19,20)(H,15,16,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II expressed in Escherichia coli BL21


Bioorg Med Chem Lett 14: 5427-33 (2004)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50153970
PNG
(4-(4,6-Diethoxy-[1,3,5]triazin-2-ylamino)-benzenes...)
Show SMILES CCOc1nc(Nc2ccc(cc2)S(N)(=O)=O)nc(OCC)n1
Show InChI InChI=1S/C13H17N5O4S/c1-3-21-12-16-11(17-13(18-12)22-4-2)15-9-5-7-10(8-6-9)23(14,19)20/h5-8H,3-4H2,1-2H3,(H2,14,19,20)(H,15,16,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
78n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase I expressed in Escherichia coli BL21


Bioorg Med Chem Lett 14: 5427-33 (2004)

More data for this
Ligand-Target Pair