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SMILES: Fc1ccc(NC(=O)CNC(=O)COc2ccc(Cl)cc2)c(F)c1F

InChI Key: InChIKey=VQJHZGKSDAXSNI-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50055464   
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
Serine racemase


(Homo sapiens (Human))
BDBM50055464
PNG
(CHEMBL3317747)
Show SMILES Fc1ccc(NC(=O)CNC(=O)COc2ccc(Cl)cc2)c(F)c1F
Show InChI InChI=1S/C16H12ClF3N2O3/c17-9-1-3-10(4-2-9)25-8-14(24)21-7-13(23)22-12-6-5-11(18)15(19)16(12)20/h1-6H,7-8H2,(H,21,24)(H,22,23)
PDB
MMDB

KEGG

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 1.21E+6n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant serine recemase C2DC6D mutant expressed in Escherichia coli BL21 (DE3) assessed as D-serine production af...


Bioorg Med Chem Lett 24: 3732-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.003
BindingDB Entry DOI: 10.7270/Q2PR7XNR
More data for this
Ligand-Target Pair
Serine racemase


(Homo sapiens (Human))
BDBM50055464
PNG
(CHEMBL3317747)
Show SMILES Fc1ccc(NC(=O)CNC(=O)COc2ccc(Cl)cc2)c(F)c1F
Show InChI InChI=1S/C16H12ClF3N2O3/c17-9-1-3-10(4-2-9)25-8-14(24)21-7-13(23)22-12-6-5-11(18)15(19)16(12)20/h1-6H,7-8H2,(H,21,24)(H,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 1.40E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of serine racemase mutant (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2017.12.021
BindingDB Entry DOI: 10.7270/Q2CV4MB3
More data for this
Ligand-Target Pair
Serine racemase


(Homo sapiens (Human))
BDBM50055464
PNG
(CHEMBL3317747)
Show SMILES Fc1ccc(NC(=O)CNC(=O)COc2ccc(Cl)cc2)c(F)c1F
Show InChI InChI=1S/C16H12ClF3N2O3/c17-9-1-3-10(4-2-9)25-8-14(24)21-7-13(23)22-12-6-5-11(18)15(19)16(12)20/h1-6H,7-8H2,(H,21,24)(H,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 1.60E+6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild-type serine racemase (unknown origin) assessed as residual activity by measuring D-serine level using Dsd1 as substrate and PLP as...


Citation and Details

Article DOI: 10.1016/j.bmcl.2017.12.021
BindingDB Entry DOI: 10.7270/Q2CV4MB3
More data for this
Ligand-Target Pair