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BDBM36701 Dansyl derivative, 3L::Dansyltyrosine deriviative 19B

SMILES: CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2ccc(cc2)N(=O)=O)C(O)=O)cc1

InChI Key: InChIKey=HRDKXHAFHFCHKY-DEOSSOPVSA-N

Data: 2 KI  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 36701   
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
Thymidylate Synthase (TS)


(Lactobacillus casei)
BDBM36701
PNG
(Dansyl derivative, 3L | Dansyltyrosine deriviative...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2ccc(cc2)N(=O)=O)C(O)=O)cc1 |r|
Show InChI InChI=1S/C27H25N3O9S2/c1-29(2)25-7-3-6-23-22(25)5-4-8-26(23)41(37,38)39-20-13-9-18(10-14-20)17-24(27(31)32)28-40(35,36)21-15-11-19(12-16-21)30(33)34/h3-16,24,28H,17H2,1-2H3,(H,31,32)/t24-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
2.50E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Modena e Reggio Emilia via Campi 183



Assay Description
All compounds were screened for inhibitory activity against Lactobacillus casei thymidylate synthase (LcTS) and Escherichia coli thymidylate synthase...


Chembiochem 9: 779-90 (2008)


Article DOI: 10.1002/cbic.200700524
BindingDB Entry DOI: 10.7270/Q2PG1Q89
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Escherichia coli)
BDBM36701
PNG
(Dansyl derivative, 3L | Dansyltyrosine deriviative...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2ccc(cc2)N(=O)=O)C(O)=O)cc1 |r|
Show InChI InChI=1S/C27H25N3O9S2/c1-29(2)25-7-3-6-23-22(25)5-4-8-26(23)41(37,38)39-20-13-9-18(10-14-20)17-24(27(31)32)28-40(35,36)21-15-11-19(12-16-21)30(33)34/h3-16,24,28H,17H2,1-2H3,(H,31,32)/t24-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
>1.33E+6n/an/an/an/an/an/an/an/a



Università degli Studi di Modena e Reggio Emilia via Campi 183



Assay Description
All compounds were screened for inhibitory activity against Lactobacillus casei thymidylate synthase (LcTS) and Escherichia coli thymidylate synthase...


Chembiochem 9: 779-90 (2008)


Article DOI: 10.1002/cbic.200700524
BindingDB Entry DOI: 10.7270/Q2PG1Q89
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Lactobacillus casei)
BDBM36701
PNG
(Dansyl derivative, 3L | Dansyltyrosine deriviative...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2ccc(cc2)N(=O)=O)C(O)=O)cc1 |r|
Show InChI InChI=1S/C27H25N3O9S2/c1-29(2)25-7-3-6-23-22(25)5-4-8-26(23)41(37,38)39-20-13-9-18(10-14-20)17-24(27(31)32)28-40(35,36)21-15-11-19(12-16-21)30(33)34/h3-16,24,28H,17H2,1-2H3,(H,31,32)/t24-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+4n/an/an/an/a7.420



Northwestern University



Assay Description
The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...


Chem Biol 6: 319-31 (1999)


Article DOI: 10.1016/S1074-5521(99)80077-5
BindingDB Entry DOI: 10.7270/Q2S180VB
More data for this
Ligand-Target Pair