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SMILES: NS(=O)(=O)c1ccc(cc1)-n1nnc(C(=O)N\N=C(\CC(=O)c2ccccn2)C(F)(F)F)c1-c1ccccc1

InChI Key: InChIKey=VSOFZCSTAVDIHU-COEJQBHMSA-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 2 hits for monomerid = 50504776   
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))
BDBM50504776
PNG
(CHEMBL4441461)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nnc(C(=O)N\N=C(\CC(=O)c2ccccn2)C(F)(F)F)c1-c1ccccc1
Show InChI InChI=1S/C24H18F3N7O4S/c25-24(26,27)20(14-19(35)18-8-4-5-13-29-18)30-32-23(36)21-22(15-6-2-1-3-7-15)34(33-31-21)16-9-11-17(12-10-16)39(28,37)38/h1-13H,14H2,(H,32,36)(H2,28,37,38)/b30-20-
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
0.700n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase-9 incubated for 15 mins by stopped flow CO2 hydrase assay


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111843
BindingDB Entry DOI: 10.7270/Q2WW7N05
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50504776
PNG
(CHEMBL4441461)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nnc(C(=O)N\N=C(\CC(=O)c2ccccn2)C(F)(F)F)c1-c1ccccc1
Show InChI InChI=1S/C24H18F3N7O4S/c25-24(26,27)20(14-19(35)18-8-4-5-13-29-18)30-32-23(36)21-22(15-6-2-1-3-7-15)34(33-31-21)16-9-11-17(12-10-16)39(28,37)38/h1-13H,14H2,(H,32,36)(H2,28,37,38)/b30-20-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
24n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase-12 incubated for 15 mins by stopped flow CO2 hydrase assay


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111843
BindingDB Entry DOI: 10.7270/Q2WW7N05
More data for this
Ligand-Target Pair