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BDBM50167357 4-[(4,6-Dihydrazino-[1,3,5]triazin-2-ylamino)-methyl]-benzenesulfonamide::CHEMBL190721

SMILES: NNc1nc(NN)nc(NCc2ccc(cc2)S(N)(=O)=O)n1

InChI Key: InChIKey=FSDJLAZOUWTWCT-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 = 50167357   
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))
BDBM50167357
PNG
(4-[(4,6-Dihydrazino-[1,3,5]triazin-2-ylamino)-meth...)
Show SMILES NNc1nc(NN)nc(NCc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C10H15N9O2S/c11-18-9-15-8(16-10(17-9)19-12)14-5-6-1-3-7(4-2-6)22(13,20)21/h1-4H,5,11-12H2,(H2,13,20,21)(H3,14,15,16,17,18,19)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
1.40n/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))
BDBM50167357
PNG
(4-[(4,6-Dihydrazino-[1,3,5]triazin-2-ylamino)-meth...)
Show SMILES NNc1nc(NN)nc(NCc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C10H15N9O2S/c11-18-9-15-8(16-10(17-9)19-12)14-5-6-1-3-7(4-2-6)22(13,20)21/h1-4H,5,11-12H2,(H2,13,20,21)(H3,14,15,16,17,18,19)
PDB
MMDB

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KEGG

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PC sid
UniChem

Similars

Article
PubMed
27n/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))
BDBM50167357
PNG
(4-[(4,6-Dihydrazino-[1,3,5]triazin-2-ylamino)-meth...)
Show SMILES NNc1nc(NN)nc(NCc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C10H15N9O2S/c11-18-9-15-8(16-10(17-9)19-12)14-5-6-1-3-7(4-2-6)22(13,20)21/h1-4H,5,11-12H2,(H2,13,20,21)(H3,14,15,16,17,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
104n/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