new BindingDB logo
myBDB logout

BDBM50171028 CHEMBL360254::N-{2-[4-(aminosulfonyl)phenyl]ethyl}-2-(4-methylpiperazin-1-yl)hydrazinecarbothioamide

SMILES: CN1CCN(CC1)NNC(=S)NCCc1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=QKVUHVQNWTZFSX-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 = 50171028   
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))
BDBM50171028
PNG
(CHEMBL360254 | N-{2-[4-(aminosulfonyl)phenyl]ethyl...)
Show SMILES CN1CCN(CC1)NNC(=S)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H24N6O2S2/c1-19-8-10-20(11-9-19)18-17-14(23)16-7-6-12-2-4-13(5-3-12)24(15,21)22/h2-5,18H,6-11H2,1H3,(H2,15,21,22)(H2,16,17,23)
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))
BDBM50171028
PNG
(CHEMBL360254 | N-{2-[4-(aminosulfonyl)phenyl]ethyl...)
Show SMILES CN1CCN(CC1)NNC(=S)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H24N6O2S2/c1-19-8-10-20(11-9-19)18-17-14(23)16-7-6-12-2-4-13(5-3-12)24(15,21)22/h2-5,18H,6-11H2,1H3,(H2,15,21,22)(H2,16,17,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
48n/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))
BDBM50171028
PNG
(CHEMBL360254 | N-{2-[4-(aminosulfonyl)phenyl]ethyl...)
Show SMILES CN1CCN(CC1)NNC(=S)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H24N6O2S2/c1-19-8-10-20(11-9-19)18-17-14(23)16-7-6-12-2-4-13(5-3-12)24(15,21)22/h2-5,18H,6-11H2,1H3,(H2,15,21,22)(H2,16,17,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
72n/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