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BDBM50350124 CHEMBL1231557

SMILES: Cc1cccc2C(=O)N(C(=O)c12)c1ccc(cc1)C#N

InChI Key: InChIKey=MVYDBJXCIFMINH-UHFFFAOYSA-N

Data: 2 KI

PDB links: 1 PDB ID matches this monomer.

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 2 hits for monomerid = 50350124   
Target
(Institution)
LigandTarget
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
Thymidylate synthase


(Enterococcus faecalis)
BDBM50350124
PNG
(CHEMBL1231557)
Show SMILES Cc1cccc2C(=O)N(C(=O)c12)c1ccc(cc1)C#N
Show InChI InChI=1S/C16H10N2O2/c1-10-3-2-4-13-14(10)16(20)18(15(13)19)12-7-5-11(9-17)6-8-12/h2-8H,1H3
PDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
8.00E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecalis thymidylate synthase using N5,N10-methylene tetrahydrofolate by chromogenic assay


Citation and Details
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Lactobacillus casei)
BDBM50350124
PNG
(CHEMBL1231557)
Show SMILES Cc1cccc2C(=O)N(C(=O)c12)c1ccc(cc1)C#N
Show InChI InChI=1S/C16H10N2O2/c1-10-3-2-4-13-14(10)16(20)18(15(13)19)12-7-5-11(9-17)6-8-12/h2-8H,1H3
PDB
MMDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
DrugBank
MMDB
PDB
Article
PubMed
2.20E+4n/an/an/an/an/an/an/an/a



Universita degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of Lactobacillus casei thymidylate synthase using N5,N10-methylene tetrahydrofolate by chromogenic assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)