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BDBM50117675 CHEMBL3613780

SMILES: NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2ccccc2C1

InChI Key: InChIKey=FNPLXMFGUKXYIB-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50117675   
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))
BDBM50117675
PNG
(CHEMBL3613780)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C16H16N2O3S/c17-22(20,21)15-7-5-13(6-8-15)16(19)18-10-9-12-3-1-2-4-14(12)11-18/h1-8H,9-11H2,(H2,17,20,21)
PDB
MMDB

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PC sid
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Article
PubMed
7.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.049
BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50117675
PNG
(CHEMBL3613780)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C16H16N2O3S/c17-22(20,21)15-7-5-13(6-8-15)16(19)18-10-9-12-3-1-2-4-14(12)11-18/h1-8H,9-11H2,(H2,17,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
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antibodypedia
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CHEMBL
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Article
PubMed
7.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.049
BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50117675
PNG
(CHEMBL3613780)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C16H16N2O3S/c17-22(20,21)15-7-5-13(6-8-15)16(19)18-10-9-12-3-1-2-4-14(12)11-18/h1-8H,9-11H2,(H2,17,20,21)
PDB
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KEGG

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Article
PubMed
9.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 7 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.049
BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50117675
PNG
(CHEMBL3613780)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C16H16N2O3S/c17-22(20,21)15-7-5-13(6-8-15)16(19)18-10-9-12-3-1-2-4-14(12)11-18/h1-8H,9-11H2,(H2,17,20,21)
PDB

Reactome pathway
KEGG

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Article
PubMed
9.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.049
BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50117675
PNG
(CHEMBL3613780)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C16H16N2O3S/c17-22(20,21)15-7-5-13(6-8-15)16(19)18-10-9-12-3-1-2-4-14(12)11-18/h1-8H,9-11H2,(H2,17,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
76n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.049
BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair