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BDBM50031579 CHEMBL3359166

SMILES: CC(C)(C)OC(=O)NCCCCOc1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=ULDQAZFJSXNRJO-UHFFFAOYSA-N

Data: 4 KI

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 4 hits for monomerid = 50031579   
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))
BDBM50031579
PNG
(CHEMBL3359166)
Show SMILES CC(C)(C)OC(=O)NCCCCOc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H24N2O5S/c1-15(2,3)22-14(18)17-10-4-5-11-21-12-6-8-13(9-7-12)23(16,19)20/h6-9H,4-5,10-11H2,1-3H3,(H,17,18)(H2,16,19,20)
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Article
PubMed
5.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-2 by stopped flow CO2 hydrase assay


J Med Chem 57: 9673-86 (2014)


Article DOI: 10.1021/jm501497m
BindingDB Entry DOI: 10.7270/Q2CR5W08
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50031579
PNG
(CHEMBL3359166)
Show SMILES CC(C)(C)OC(=O)NCCCCOc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H24N2O5S/c1-15(2,3)22-14(18)17-10-4-5-11-21-12-6-8-13(9-7-12)23(16,19)20/h6-9H,4-5,10-11H2,1-3H3,(H,17,18)(H2,16,19,20)
PDB
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Article
PubMed
6.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-12 by stopped flow CO2 hydrase assay


J Med Chem 57: 9673-86 (2014)


Article DOI: 10.1021/jm501497m
BindingDB Entry DOI: 10.7270/Q2CR5W08
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50031579
PNG
(CHEMBL3359166)
Show SMILES CC(C)(C)OC(=O)NCCCCOc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H24N2O5S/c1-15(2,3)22-14(18)17-10-4-5-11-21-12-6-8-13(9-7-12)23(16,19)20/h6-9H,4-5,10-11H2,1-3H3,(H,17,18)(H2,16,19,20)
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Article
PubMed
7.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-9 by stopped flow CO2 hydrase assay


J Med Chem 57: 9673-86 (2014)


Article DOI: 10.1021/jm501497m
BindingDB Entry DOI: 10.7270/Q2CR5W08
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50031579
PNG
(CHEMBL3359166)
Show SMILES CC(C)(C)OC(=O)NCCCCOc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H24N2O5S/c1-15(2,3)22-14(18)17-10-4-5-11-21-12-6-8-13(9-7-12)23(16,19)20/h6-9H,4-5,10-11H2,1-3H3,(H,17,18)(H2,16,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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UniProtKB/TrEMBL

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antibodypedia
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PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
41n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-1 by stopped flow CO2 hydrase assay


J Med Chem 57: 9673-86 (2014)


Article DOI: 10.1021/jm501497m
BindingDB Entry DOI: 10.7270/Q2CR5W08
More data for this
Ligand-Target Pair