new BindingDB logo
myBDB logout

BDBM50035680 CHEMBL2377776

SMILES: NS(=O)(=O)c1ccc(cc1)N1C(=O)c2nccnc2C1=O

InChI Key: InChIKey=WFYXAVWBBGFCFS-UHFFFAOYSA-N

Data: 4 KI

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 = 50035680   
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 12


(Homo sapiens (Human))
BDBM50035680
PNG
(CHEMBL2377776)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)c2nccnc2C1=O
Show InChI InChI=1S/C12H8N4O4S/c13-21(19,20)8-3-1-7(2-4-8)16-11(17)9-10(12(16)18)15-6-5-14-9/h1-6H,(H2,13,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
0.930n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
BindingDB Entry DOI: 10.7270/Q25Q4XP2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50035680
PNG
(CHEMBL2377776)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)c2nccnc2C1=O
Show InChI InChI=1S/C12H8N4O4S/c13-21(19,20)8-3-1-7(2-4-8)16-11(17)9-10(12(16)18)15-6-5-14-9/h1-6H,(H2,13,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
2.90n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
BindingDB Entry DOI: 10.7270/Q25Q4XP2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50035680
PNG
(CHEMBL2377776)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)c2nccnc2C1=O
Show InChI InChI=1S/C12H8N4O4S/c13-21(19,20)8-3-1-7(2-4-8)16-11(17)9-10(12(16)18)15-6-5-14-9/h1-6H,(H2,13,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
8.60n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
BindingDB Entry DOI: 10.7270/Q25Q4XP2
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50035680
PNG
(CHEMBL2377776)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)c2nccnc2C1=O
Show InChI InChI=1S/C12H8N4O4S/c13-21(19,20)8-3-1-7(2-4-8)16-11(17)9-10(12(16)18)15-6-5-14-9/h1-6H,(H2,13,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
262n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
BindingDB Entry DOI: 10.7270/Q25Q4XP2
More data for this
Ligand-Target Pair