BindingDB logo
myBDB logout

BDBM50395389 CHEMBL2164729

SMILES: NS(=O)(=O)Nc1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=VORWCQRDADUXEU-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50395389   
Target
(Institution)
LigandTarget
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 12


(Homo sapiens (human))
BDBM50395389
PNG
(CHEMBL2164729)
Show SMILES NS(=O)(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C6H9N3O4S2/c7-14(10,11)6-3-1-5(2-4-6)9-15(8,12)13/h1-4,9H,(H2,7,10,11)(H2,8,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
Article
PubMed
57n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 catalytic domain preincubated for 15 mins by stopped-flow CO2 hydration assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50395389
PNG
(CHEMBL2164729)
Show SMILES NS(=O)(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C6H9N3O4S2/c7-14(10,11)6-3-1-5(2-4-6)9-15(8,12)13/h1-4,9H,(H2,7,10,11)(H2,8,12,13)
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
Article
PubMed
64n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 catalytic domain preincubated for 15 mins by stopped-flow CO2 hydration assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50395389
PNG
(CHEMBL2164729)
Show SMILES NS(=O)(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C6H9N3O4S2/c7-14(10,11)6-3-1-5(2-4-6)9-15(8,12)13/h1-4,9H,(H2,7,10,11)(H2,8,12,13)
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
Article
PubMed
74n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR

Curated by ChEMBL


Assay Description
Inhibition of full length human CA2 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50395389
PNG
(CHEMBL2164729)
Show SMILES NS(=O)(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C6H9N3O4S2/c7-14(10,11)6-3-1-5(2-4-6)9-15(8,12)13/h1-4,9H,(H2,7,10,11)(H2,8,12,13)
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
Article
PubMed
123n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR

Curated by ChEMBL


Assay Description
Inhibition of human CA2 using 4-nitrophenylacetate as substrate preincubated for 10 mins by spectrophotometric esterase assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50395389
PNG
(CHEMBL2164729)
Show SMILES NS(=O)(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C6H9N3O4S2/c7-14(10,11)6-3-1-5(2-4-6)9-15(8,12)13/h1-4,9H,(H2,7,10,11)(H2,8,12,13)
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
Article
PubMed
1.13E+3n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR

Curated by ChEMBL


Assay Description
Inhibition of full length human CA1 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50395389
PNG
(CHEMBL2164729)
Show SMILES NS(=O)(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C6H9N3O4S2/c7-14(10,11)6-3-1-5(2-4-6)9-15(8,12)13/h1-4,9H,(H2,7,10,11)(H2,8,12,13)
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
Article
PubMed
1.65E+3n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR

Curated by ChEMBL


Assay Description
Inhibition of human CA1 using 4-nitrophenylacetate as substrate preincubated for 10 mins by spectrophotometric esterase assay


Citation and Details
More data for this
Ligand-Target Pair