new BindingDB logo
myBDB logout

BDBM50171010 CHEMBL362636::N-[4-(aminosulfonyl)phenyl]-2-(pentafluorophenyl)triazane-1-carbothioamide

SMILES: NN(NC(=S)Nc1ccc(cc1)S(N)(=O)=O)c1c(F)c(F)c(F)c(F)c1F

InChI Key: InChIKey=RAMAEQCZMDZXHD-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50171010   
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))
BDBM50171010
PNG
(CHEMBL362636 | N-[4-(aminosulfonyl)phenyl]-2-(pent...)
Show SMILES NN(NC(=S)Nc1ccc(cc1)S(N)(=O)=O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C13H10F5N5O2S2/c14-7-8(15)10(17)12(11(18)9(7)16)23(19)22-13(26)21-5-1-3-6(4-2-5)27(20,24)25/h1-4H,19H2,(H2,20,24,25)(H2,21,22,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
12n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
BindingDB Entry DOI: 10.7270/Q2H132SW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50171010
PNG
(CHEMBL362636 | N-[4-(aminosulfonyl)phenyl]-2-(pent...)
Show SMILES NN(NC(=S)Nc1ccc(cc1)S(N)(=O)=O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C13H10F5N5O2S2/c14-7-8(15)10(17)12(11(18)9(7)16)23(19)22-13(26)21-5-1-3-6(4-2-5)27(20,24)25/h1-4H,19H2,(H2,20,24,25)(H2,21,22,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
19n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
BindingDB Entry DOI: 10.7270/Q2H132SW
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50171010
PNG
(CHEMBL362636 | N-[4-(aminosulfonyl)phenyl]-2-(pent...)
Show SMILES NN(NC(=S)Nc1ccc(cc1)S(N)(=O)=O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C13H10F5N5O2S2/c14-7-8(15)10(17)12(11(18)9(7)16)23(19)22-13(26)21-5-1-3-6(4-2-5)27(20,24)25/h1-4H,19H2,(H2,20,24,25)(H2,21,22,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
79n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
BindingDB Entry DOI: 10.7270/Q2H132SW
More data for this
Ligand-Target Pair