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SMILES: Cn1nc(s\c1=N/C(=O)CCCN)S(N)(=O)=O

InChI Key: InChIKey=MXKYYIQYLSZFOX-POHAHGRESA-N

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 = 50475769   
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 2


(Homo sapiens (Human))
BDBM50475769
PNG
(CHEMBL205520)
Show SMILES Cn1nc(s\c1=N/C(=O)CCCN)S(N)(=O)=O
Show InChI InChI=1S/C7H13N5O3S2/c1-12-6(10-5(13)3-2-4-8)16-7(11-12)17(9,14)15/h2-4,8H2,1H3,(H2,9,14,15)/b10-6-
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
1.00E+8n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human CA2


Bioorg Med Chem Lett 16: 2044-51 (2006)


Article DOI: 10.1016/j.bmcl.2005.08.071
BindingDB Entry DOI: 10.7270/Q20Z761V
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50475769
PNG
(CHEMBL205520)
Show SMILES Cn1nc(s\c1=N/C(=O)CCCN)S(N)(=O)=O
Show InChI InChI=1S/C7H13N5O3S2/c1-12-6(10-5(13)3-2-4-8)16-7(11-12)17(9,14)15/h2-4,8H2,1H3,(H2,9,14,15)/b10-6-
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PC cid
PC sid
UniChem
Article
PubMed
4.20E+10n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of bovine CA4


Bioorg Med Chem Lett 16: 2044-51 (2006)


Article DOI: 10.1016/j.bmcl.2005.08.071
BindingDB Entry DOI: 10.7270/Q20Z761V
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50475769
PNG
(CHEMBL205520)
Show SMILES Cn1nc(s\c1=N/C(=O)CCCN)S(N)(=O)=O
Show InChI InChI=1S/C7H13N5O3S2/c1-12-6(10-5(13)3-2-4-8)16-7(11-12)17(9,14)15/h2-4,8H2,1H3,(H2,9,14,15)/b10-6-
PDB
MMDB

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Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.10E+11n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human CA1


Bioorg Med Chem Lett 16: 2044-51 (2006)


Article DOI: 10.1016/j.bmcl.2005.08.071
BindingDB Entry DOI: 10.7270/Q20Z761V
More data for this
Ligand-Target Pair