BindingDB logo
myBDB logout

null

SMILES: [Zn++].NS(=O)(=O)c1nnc(NC(=O)CN(CCN(CCN(CC([O-])=O)CC(=O)Nc2nnc(s2)S(N)(=O)=O)CC([O-])=O)CC(O)=O)s1

InChI Key:

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 = 50219174   
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 2


(Homo sapiens (Human))
BDBM50219174
PNG
(CHEMBL2112274)
Show SMILES [Zn++].NS(=O)(=O)c1nnc(NC(=O)CN(CCN(CCN(CC([O-])=O)CC(=O)Nc2nnc(s2)S(N)(=O)=O)CC([O-])=O)CC(O)=O)s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
0.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of hepatitis c virus Non structural protein 3 protease/Non structural protein 4A protease


Bioorg Med Chem Lett 11: 575-82 (2001)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50219174
PNG
(CHEMBL2112274)
Show SMILES [Zn++].NS(=O)(=O)c1nnc(NC(=O)CN(CCN(CCN(CC([O-])=O)CC(=O)Nc2nnc(s2)S(N)(=O)=O)CC([O-])=O)CC(O)=O)s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
4n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound towards cloned human Dopamine receptor D2A using [3H]- Raclopride as radioligand.


Bioorg Med Chem Lett 11: 575-82 (2001)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50219174
PNG
(CHEMBL2112274)
Show SMILES [Zn++].NS(=O)(=O)c1nnc(NC(=O)CN(CCN(CCN(CC([O-])=O)CC(=O)Nc2nnc(s2)S(N)(=O)=O)CC([O-])=O)CC(O)=O)s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
40n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound towards cloned human 5-hydroxytryptamine 1A receptor expressed in Chinese hamster ovary (CHO) cells using [...


Bioorg Med Chem Lett 11: 575-82 (2001)

More data for this
Ligand-Target Pair