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BDBM50167353 4-[2-(4,6-Diamino-[1,3,5]triazin-2-ylamino)-ethyl]-benzenesulfonamide::CHEMBL364754

SMILES: Nc1nc(N)nc(NCCc2ccc(cc2)S(N)(=O)=O)n1

InChI Key: InChIKey=WMIGYDSTZUPOGS-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 = 50167353   
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))
BDBM50167353
PNG
(4-[2-(4,6-Diamino-[1,3,5]triazin-2-ylamino)-ethyl]...)
Show SMILES Nc1nc(N)nc(NCCc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C11H15N7O2S/c12-9-16-10(13)18-11(17-9)15-6-5-7-1-3-8(4-2-7)21(14,19)20/h1-4H,5-6H2,(H2,14,19,20)(H5,12,13,15,16,17,18)
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PC cid
PC sid
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Similars

Article
PubMed
1n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase IX


Bioorg Med Chem Lett 15: 3102-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.056
BindingDB Entry DOI: 10.7270/Q2NP256X
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50167353
PNG
(4-[2-(4,6-Diamino-[1,3,5]triazin-2-ylamino)-ethyl]...)
Show SMILES Nc1nc(N)nc(NCCc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C11H15N7O2S/c12-9-16-10(13)18-11(17-9)15-6-5-7-1-3-8(4-2-7)21(14,19)20/h1-4H,5-6H2,(H2,14,19,20)(H5,12,13,15,16,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
21n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase II


Bioorg Med Chem Lett 15: 3102-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.056
BindingDB Entry DOI: 10.7270/Q2NP256X
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50167353
PNG
(4-[2-(4,6-Diamino-[1,3,5]triazin-2-ylamino)-ethyl]...)
Show SMILES Nc1nc(N)nc(NCCc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C11H15N7O2S/c12-9-16-10(13)18-11(17-9)15-6-5-7-1-3-8(4-2-7)21(14,19)20/h1-4H,5-6H2,(H2,14,19,20)(H5,12,13,15,16,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
95n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase I


Bioorg Med Chem Lett 15: 3102-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.056
BindingDB Entry DOI: 10.7270/Q2NP256X
More data for this
Ligand-Target Pair