BindingDB logo
myBDB logout

null

SMILES: NS(=O)(=O)c1ccc(Nc2nnc(-c3cccc(c3)S(N)(=O)=O)c3ccccc23)cc1

InChI Key: InChIKey=XVWHALYHZNAWMA-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 3 hits for monomerid = 50430552   
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 1


(Homo sapiens (Human))
BDBM50430552
PNG
(CHEMBL2336904)
Show SMILES NS(=O)(=O)c1ccc(Nc2nnc(-c3cccc(c3)S(N)(=O)=O)c3ccccc23)cc1
Show InChI InChI=1S/C20H17N5O4S2/c21-30(26,27)15-10-8-14(9-11-15)23-20-18-7-2-1-6-17(18)19(24-25-20)13-4-3-5-16(12-13)31(22,28)29/h1-12H,(H,23,25)(H2,21,26,27)(H2,22,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 62: 597-604 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.030
BindingDB Entry DOI: 10.7270/Q2X92CNX
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50430552
PNG
(CHEMBL2336904)
Show SMILES NS(=O)(=O)c1ccc(Nc2nnc(-c3cccc(c3)S(N)(=O)=O)c3ccccc23)cc1
Show InChI InChI=1S/C20H17N5O4S2/c21-30(26,27)15-10-8-14(9-11-15)23-20-18-7-2-1-6-17(18)19(24-25-20)13-4-3-5-16(12-13)31(22,28)29/h1-12H,(H,23,25)(H2,21,26,27)(H2,22,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 455n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 62: 597-604 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.030
BindingDB Entry DOI: 10.7270/Q2X92CNX
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50430552
PNG
(CHEMBL2336904)
Show SMILES NS(=O)(=O)c1ccc(Nc2nnc(-c3cccc(c3)S(N)(=O)=O)c3ccccc23)cc1
Show InChI InChI=1S/C20H17N5O4S2/c21-30(26,27)15-10-8-14(9-11-15)23-20-18-7-2-1-6-17(18)19(24-25-20)13-4-3-5-16(12-13)31(22,28)29/h1-12H,(H,23,25)(H2,21,26,27)(H2,22,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 19n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 after 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 62: 597-604 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.030
BindingDB Entry DOI: 10.7270/Q2X92CNX
More data for this
Ligand-Target Pair