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BDBM50171015 CHEMBL182135::N-[4-(aminosulfonyl)phenyl]-2-(2-morpholin-4-ylethyl)hydrazinecarbothioamide

SMILES: NS(=O)(=O)c1ccc(NC(=S)NNCCN2CCOCC2)cc1

InChI Key: InChIKey=CKRMCTMVMJCVBI-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 = 50171015   
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))
BDBM50171015
PNG
(CHEMBL182135 | N-[4-(aminosulfonyl)phenyl]-2-(2-mo...)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)NNCCN2CCOCC2)cc1
Show InChI InChI=1S/C13H21N5O3S2/c14-23(19,20)12-3-1-11(2-4-12)16-13(22)17-15-5-6-18-7-9-21-10-8-18/h1-4,15H,5-10H2,(H2,14,19,20)(H2,16,17,22)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
10n/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))
BDBM50171015
PNG
(CHEMBL182135 | N-[4-(aminosulfonyl)phenyl]-2-(2-mo...)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)NNCCN2CCOCC2)cc1
Show InChI InChI=1S/C13H21N5O3S2/c14-23(19,20)12-3-1-11(2-4-12)16-13(22)17-15-5-6-18-7-9-21-10-8-18/h1-4,15H,5-10H2,(H2,14,19,20)(H2,16,17,22)
PDB
MMDB

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
13n/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))
BDBM50171015
PNG
(CHEMBL182135 | N-[4-(aminosulfonyl)phenyl]-2-(2-mo...)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)NNCCN2CCOCC2)cc1
Show InChI InChI=1S/C13H21N5O3S2/c14-23(19,20)12-3-1-11(2-4-12)16-13(22)17-15-5-6-18-7-9-21-10-8-18/h1-4,15H,5-10H2,(H2,14,19,20)(H2,16,17,22)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
73n/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