BindingDB logo
myBDB logout

null

SMILES: NS(=O)(=O)c1ccc(cc1)C(=O)N1CCC(O)(CC1)c1ccc(Cl)cc1

InChI Key: InChIKey=LIUBLVAZYHNOIY-UHFFFAOYSA-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 6 hits for monomerid = 50507834   
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))
BDBM50507834
PNG
(CHEMBL4442611)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCC(O)(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H19ClN2O4S/c19-15-5-3-14(4-6-15)18(23)9-11-21(12-10-18)17(22)13-1-7-16(8-2-13)26(20,24)25/h1-8,23H,9-12H2,(H2,20,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.600n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human carbonic anhydrase-2 assessed as reduction in CO2 hydration after 15 mins by phenol red dye based stopped...


Eur J Med Chem 163: 443-452 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.073
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50507834
PNG
(CHEMBL4442611)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCC(O)(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H19ClN2O4S/c19-15-5-3-14(4-6-15)18(23)9-11-21(12-10-18)17(22)13-1-7-16(8-2-13)26(20,24)25/h1-8,23H,9-12H2,(H2,20,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human carbonic anhydrase-7 assessed as reduction in CO2 hydration after 15 mins by phenol red dye based stopped...


Eur J Med Chem 163: 443-452 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.073
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50507834
PNG
(CHEMBL4442611)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCC(O)(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H19ClN2O4S/c19-15-5-3-14(4-6-15)18(23)9-11-21(12-10-18)17(22)13-1-7-16(8-2-13)26(20,24)25/h1-8,23H,9-12H2,(H2,20,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
6.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human carbonic anhydrase-1 assessed as reduction in CO2 hydration after 15 mins by phenol red dye based stopped...


Eur J Med Chem 163: 443-452 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.073
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50507834
PNG
(CHEMBL4442611)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCC(O)(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H19ClN2O4S/c19-15-5-3-14(4-6-15)18(23)9-11-21(12-10-18)17(22)13-1-7-16(8-2-13)26(20,24)25/h1-8,23H,9-12H2,(H2,20,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
7.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-14 catalytic domain assessed as reduction in CO2 hydration after 15 mins by phenol red dye based stopped flow ...


Eur J Med Chem 163: 443-452 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.073
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50507834
PNG
(CHEMBL4442611)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCC(O)(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H19ClN2O4S/c19-15-5-3-14(4-6-15)18(23)9-11-21(12-10-18)17(22)13-1-7-16(8-2-13)26(20,24)25/h1-8,23H,9-12H2,(H2,20,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
8.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12 catalytic domain assessed as reduction in CO2 hydration after 15 mins by phenol red dye based stopped flow ...


Eur J Med Chem 163: 443-452 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.073
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50507834
PNG
(CHEMBL4442611)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCC(O)(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H19ClN2O4S/c19-15-5-3-14(4-6-15)18(23)9-11-21(12-10-18)17(22)13-1-7-16(8-2-13)26(20,24)25/h1-8,23H,9-12H2,(H2,20,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
25n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9 catalytic domain assessed as reduction in CO2 hydration after 15 mins by phenol red dye based stopped flow a...


Eur J Med Chem 163: 443-452 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.073
More data for this
Ligand-Target Pair