new BindingDB logo
myBDB logout

BDBM50358174 CHEMBL1921855

SMILES: O=C(Nc1ccc(cc1)N1S(=O)(=O)c2ccccc2S1(=O)=O)c1ccccn1

InChI Key: InChIKey=KFNXSASJRFOSHL-UHFFFAOYSA-N

Data: 4 IC50  2 EC50

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 6 hits for monomerid = 50358174   
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
Metabotropic glutamate receptor 4 (mGlu4)


(Rattus norvegicus (Rat))
BDBM50358174
PNG
(CHEMBL1921855)
Show SMILES O=C(Nc1ccc(cc1)N1S(=O)(=O)c2ccccc2S1(=O)=O)c1ccccn1
Show InChI InChI=1S/C18H13N3O5S2/c22-18(15-5-3-4-12-19-15)20-13-8-10-14(11-9-13)21-27(23,24)16-6-1-2-7-17(16)28(21,25)26/h1-12H,(H,20,22)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 165n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at rat mGlu4 receptor by thallium flux assay


J Med Chem 54: 7639-47 (2011)


Article DOI: 10.1021/jm200956q
BindingDB Entry DOI: 10.7270/Q25Q4WHD
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50358174
PNG
(CHEMBL1921855)
Show SMILES O=C(Nc1ccc(cc1)N1S(=O)(=O)c2ccccc2S1(=O)=O)c1ccccn1
Show InChI InChI=1S/C18H13N3O5S2/c22-18(15-5-3-4-12-19-15)20-13-8-10-14(11-9-13)21-27(23,24)16-6-1-2-7-17(16)28(21,25)26/h1-12H,(H,20,22)
PDB
MMDB

Reactome pathway
KEGG

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

Patents

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsomes using acetaminophen as substrate


J Med Chem 54: 7639-47 (2011)


Article DOI: 10.1021/jm200956q
BindingDB Entry DOI: 10.7270/Q25Q4WHD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM50358174
PNG
(CHEMBL1921855)
Show SMILES O=C(Nc1ccc(cc1)N1S(=O)(=O)c2ccccc2S1(=O)=O)c1ccccn1
Show InChI InChI=1S/C18H13N3O5S2/c22-18(15-5-3-4-12-19-15)20-13-8-10-14(11-9-13)21-27(23,24)16-6-1-2-7-17(16)28(21,25)26/h1-12H,(H,20,22)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 136n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human mGlu4 receptor expressed in CHO cells expressing Gqi5 by calcium mobilization assay


J Med Chem 54: 7639-47 (2011)


Article DOI: 10.1021/jm200956q
BindingDB Entry DOI: 10.7270/Q25Q4WHD
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50358174
PNG
(CHEMBL1921855)
Show SMILES O=C(Nc1ccc(cc1)N1S(=O)(=O)c2ccccc2S1(=O)=O)c1ccccn1
Show InChI InChI=1S/C18H13N3O5S2/c22-18(15-5-3-4-12-19-15)20-13-8-10-14(11-9-13)21-27(23,24)16-6-1-2-7-17(16)28(21,25)26/h1-12H,(H,20,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextrophan tartarate as substrate


J Med Chem 54: 7639-47 (2011)


Article DOI: 10.1021/jm200956q
BindingDB Entry DOI: 10.7270/Q25Q4WHD
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50358174
PNG
(CHEMBL1921855)
Show SMILES O=C(Nc1ccc(cc1)N1S(=O)(=O)c2ccccc2S1(=O)=O)c1ccccn1
Show InChI InChI=1S/C18H13N3O5S2/c22-18(15-5-3-4-12-19-15)20-13-8-10-14(11-9-13)21-27(23,24)16-6-1-2-7-17(16)28(21,25)26/h1-12H,(H,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using 1-hydroxymidazolam as substrate


J Med Chem 54: 7639-47 (2011)


Article DOI: 10.1021/jm200956q
BindingDB Entry DOI: 10.7270/Q25Q4WHD
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50358174
PNG
(CHEMBL1921855)
Show SMILES O=C(Nc1ccc(cc1)N1S(=O)(=O)c2ccccc2S1(=O)=O)c1ccccn1
Show InChI InChI=1S/C18H13N3O5S2/c22-18(15-5-3-4-12-19-15)20-13-8-10-14(11-9-13)21-27(23,24)16-6-1-2-7-17(16)28(21,25)26/h1-12H,(H,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes using 4-hydroxydiclofenac as substrate


J Med Chem 54: 7639-47 (2011)


Article DOI: 10.1021/jm200956q
BindingDB Entry DOI: 10.7270/Q25Q4WHD
More data for this
Ligand-Target Pair