PrimarySearch_ki BindingDB logo


Compile Data Set for Download or QSAR
(2D       Computed 3D by Vconf -m prep )

Found 76 hits affinity hit(s) for enzyme = Thymidylate Synthase (TS) with UniProtKB: P04818
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
pHTemp
°C
Thymidylate Synthase (TS)


Homo sapiens (human)
CB3717
JPEG
((2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
CSLS
DrugBank
PDB
PubChem
PubMed
30.00-42.21n/an/an/a7.420


UNIMORE



J Med Chem. 49: 5958-68 (2006)

Thymidylate Synthase (TS)


Homo sapiens (human)
1,2-naphthalein derivative, 2
JPEG
(5,5-bis(4-hydroxyphenyl)-4-oxatricyclo[7.4.0.0^{2,...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
400.0-35.90n/an/an/a7.420


UNIMORE



J Med Chem. 49: 5958-68 (2006)

Thymidylate Synthase (TS)


Homo sapiens (human)
1,8-naphthalein derivative, 15
JPEG
(4,4-bis(3,5-dibromo-4-hydroxyphenyl)-3-oxatricyclo...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
3200-30.83n/an/an/a7.420


UNIMORE



J Med Chem. 49: 5958-68 (2006)

Thymidylate Synthase (TS)


Homo sapiens (human)
1,8-naphthalein derivative, 14
JPEG
(4,4-bis(3-bromo-4-hydroxyphenyl)-3-oxatricyclo[7.3...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
4700-29.90n/an/an/a7.420


UNIMORE



J Med Chem. 49: 5958-68 (2006)

Thymidylate Synthase (TS)


Homo sapiens (human)
1,8-naphthalein derivative, 12
JPEG
(4,4-bis(3,5-dichloro-4-hydroxyphenyl)-3-oxatricycl...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
5700-29.43n/an/an/a7.420


UNIMORE



J Med Chem. 49: 5958-68 (2006)

Thymidylate Synthase (TS)


Homo sapiens (human)
A156
JPEG
(1,8-naphthalein derivative, 10 | 4,4-bis(3-chloro-...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
CSLS
PDB
PubChem
PubMed
30000-25.38n/an/an/a7.420


UNIMORE



J Med Chem. 49: 5958-68 (2006)

Thymidylate Synthase (TS)


Homo sapiens (human)
1,2-naphthalein derivative, 7
JPEG
(5,5-bis(3-chloro-4-hydroxyphenyl)-4-oxatricyclo[7....)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
34000-25.07n/an/an/a7.420


UNIMORE



J Med Chem. 49: 5958-68 (2006)

Thymidylate Synthase (TS)


Homo sapiens (human)
1,8-naphthalein derivative, 11
JPEG
(8-chloro-4,4-bis(3-chloro-4-hydroxyphenyl)-3-oxatr...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
>120000>-22.00n/an/an/a7.420


UNIMORE



J Med Chem. 49: 5958-68 (2006)

Thymidylate Synthase (TS)


Homo sapiens (human)
1,2-naphthalein derivative, 4
JPEG
(3,3-bis(3-bromo-4-hydroxyphenyl)-4-oxatricyclo[7.4...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
>132000>-21.77n/an/an/a7.420


UNIMORE



J Med Chem. 49: 5958-68 (2006)

Thymidylate Synthase (TS)


Homo sapiens (human)
1,8-naphthalein derivative, 9
JPEG
(4,4-bis(4-hydroxy-3-iodophenyl)-3-oxatricyclo[7.3....)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
>132000>-21.77n/an/an/a7.420


UNIMORE



J Med Chem. 49: 5958-68 (2006)

Thymidylate Synthase (TS)


Homo sapiens (human)
1,2-naphthalein derivative, 1
JPEG
(3,3-bis(4-hydroxyphenyl)-4-oxatricyclo[7.4.0.0^{2,...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
>132000>-21.77n/an/an/a7.420


UNIMORE



J Med Chem. 49: 5958-68 (2006)

Thymidylate Synthase (TS)


Homo sapiens (human)
1,2-naphthalein derivative, 8
JPEG
(5,5-bis(3-fluoro-4-hydroxyphenyl)-4-oxatricyclo[7....)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
>132000>-21.77n/an/an/a7.420


UNIMORE



J Med Chem. 49: 5958-68 (2006)

Thymidylate Synthase (TS)


Homo sapiens (human)
1,8-naphthalein derivative, 13
JPEG
(4-(3-bromo-4-hydroxyphenyl)-4-(4-hydroxyphenyl)-3-...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
>132000>-21.77n/an/an/a7.420


UNIMORE



J Med Chem. 49: 5958-68 (2006)

Thymidylate Synthase (TS)


Homo sapiens (human)
1,2-naphthalein derivative, 3
JPEG
(3,3-bis(4-hydroxy-3-iodophenyl)-4-oxatricyclo[7.4....)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
>245000>-20.26n/an/an/a7.420


UNIMORE



J Med Chem. 49: 5958-68 (2006)

Thymidylate Synthase (TS)


Homo sapiens (human)
GA9
JPEG
(4,4-bis(3-bromo-4-hydroxyphenyl)-10-chloro-3-oxatr...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
CSLS
DrugBank
PDB
PubChem
PubMed
>245000>-20.26n/an/an/a7.420


University of California at San Francisco



Acta Crystallogr D Biol Crystallogr. 61: 1320-34 (2005)

Thymidylate Synthase (TS)


Homo sapiens (human)
1,8-naphthalein derivative, 18
JPEG
(8-chloro-4,4-bis(3-fluoro-4-hydroxyphenyl)-3-oxatr...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
>245000>-20.26n/an/an/a7.420


UNIMORE



J Med Chem. 49: 5958-68 (2006)

Thymidylate Synthase (TS)


Homo sapiens (human)
1,8-naphthalein derivative, 16
JPEG
(4,4-bis(3-bromo-4-hydroxyphenyl)-8-chloro-3-oxatri...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
>245000>-20.26n/an/an/a7.420


UNIMORE



J Med Chem. 49: 5958-68 (2006)

Thymidylate Synthase (TS)


Homo sapiens (human)
1,2-naphthalein derivative, 5
JPEG
(3,3-bis(3,5-dibromo-4-hydroxyphenyl)-4-oxatricyclo...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
>245000>-20.26n/an/an/a7.420


UNIMORE



J Med Chem. 49: 5958-68 (2006)

Thymidylate Synthase (TS)


Homo sapiens (human)
1,8-naphthalein derivative, 17
JPEG
(4,4-bis(3-fluoro-4-hydroxyphenyl)-3-oxatricyclo[7....)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
>402000>-19.05n/an/an/a7.420


UNIMORE



J Med Chem. 49: 5958-68 (2006)

Thymidylate Synthase (TS)


Homo sapiens (human)
thieno[2,3-d]pyrimidine deriv., 1
JPEG
           
B.MOAD
DrugBank
GoogleScholar
PDB
UniProtKB/SwissProt
CSLS
PDB
PubChem
PubMed
n/an/a40.0n/an/a7.430


Duquesne University



J Med Chem. 52: 4892-902 (2009)

Thymidylate Synthase (TS)


Homo sapiens (human)
Pyrrolo[3,2-d]pyrimidine analogue, 4
JPEG
((2S)-2-{[4-({2-amino-6-methyl-4-oxo-3H,4H,5H-pyrro...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
PubChemPubMed
n/an/a46.0n/an/a7.430


Duquesne University



J Med Chem. 51: 68-76 (2008)

Thymidylate Synthase (TS)


Homo sapiens (human)
Pyrrolo[2,3-d]pyrimidine analogue, 1
JPEG
((2S)-2-{[4-({2-amino-6-methyl-4-oxo-3H,4H,7H-pyrro...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
n/an/a54.0n/an/a7.430


Duquesne University



J Med Chem. 49: 1055-65 (2006)

Thymidylate Synthase (TS)


Homo sapiens (human)
Pyrrolo[2,3-d]pyrimidine analogue, 1
JPEG
((2S)-2-{[4-({2-amino-6-methyl-4-oxo-3H,4H,7H-pyrro...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
n/an/a54.0n/an/a7.430


Duquesne University



J Med Chem. 51: 68-76 (2008)

Thymidylate Synthase (TS)


Homo sapiens (human)
thieno[2,3-d]pyrimidine deriv., 2
JPEG
           
B.MOAD
DrugBank
GoogleScholar
PDB
UniProtKB/SwissProt
PDB
PubChem
PubMed
n/an/a54.0n/an/a7.430


Duquesne University



J Med Chem. 52: 4892-902 (2009)

Thymidylate Synthase (TS)


Homo sapiens (human)
CB3717
JPEG
((2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
CSLS
DrugBank
PDB
PubChem
PubMed
n/an/a85.0n/an/a7.430


Duquesne University



J Med Chem. 51: 68-76 (2008)

Thymidylate Synthase (TS)


Homo sapiens (human)
CB3717
JPEG
((2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-...)
B.MOAD
DrugBank
GoogleScholar
PDB
UniProtKB/SwissProt
B.MOAD
CSLS
DrugBank
PDB
PubChem
PubMed
n/an/a85.0n/an/a7.430


Duquesne University



J Med Chem. 52: 4892-902 (2009)

Thymidylate Synthase (TS)


Homo sapiens (human)
Pyrrolo[2,3-d]pyrimidine analogue, 4
JPEG
((2S)-2-{[4-({2-amino-6-ethyl-4-oxo-3H,4H,7H-pyrrol...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
n/an/a90.0n/an/a7.430


Duquesne University



J Med Chem. 49: 1055-65 (2006)

Thymidylate Synthase (TS)


Homo sapiens (human)
CB3717
JPEG
((2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
CSLS
DrugBank
PDB
PubChem
PubMed
n/an/a100.0n/an/a7.430


Duquesne University



J Med Chem. 48: 7215-22 (2005)

Thymidylate Synthase (TS)


Homo sapiens (human)
Pyrrolo[2,3-d]pyrimidine analogue, 2
JPEG
(2-amino-6-methyl-5-[(4-nitrophenyl)sulfanyl]-3H,4H...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
n/an/a130.0n/an/a7.430


Duquesne University



J Med Chem. 51: 68-76 (2008)

Thymidylate Synthase (TS)


Homo sapiens (human)
Pyrrolo[2,3-d]pyrimidine analogue, 3
JPEG
(2-amino-5-[(3,4-dichlorophenyl)sulfanyl]-6-methyl-...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
n/an/a130.0n/an/a7.430


Duquesne University



J Med Chem. 49: 1055-65 (2006)

Thymidylate Synthase (TS)


Homo sapiens (human)
Pyrrolo[2,3-d]pyrimidine analogue, 3
JPEG
(2-amino-5-[(3,4-dichlorophenyl)sulfanyl]-6-methyl-...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
n/an/a150.0n/an/a7.430


Duquesne University



J Med Chem. 51: 68-76 (2008)

Thymidylate Synthase (TS)


Homo sapiens (human)
Pyrrolo[2,3-d]pyrimidine analogue, 2
JPEG
(2-amino-6-methyl-5-[(4-nitrophenyl)sulfanyl]-3H,4H...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
n/an/a150.0n/an/a7.430


Duquesne University



J Med Chem. 49: 1055-65 (2006)

Thymidylate Synthase (TS)


Homo sapiens (human)
thieno[2,3-d]pyrimidine deriv., 2c
JPEG
           
B.MOAD
DrugBank
GoogleScholar
PDB
UniProtKB/SwissProt
PubChemPubMed
n/an/a220.0n/an/a7.430


Duquesne University



J Med Chem. 52: 4892-902 (2009)

Thymidylate Synthase (TS)


Homo sapiens (human)
thieno[2,3-d]pyrimidine deriv., 2e
JPEG
           
B.MOAD
DrugBank
GoogleScholar
PDB
UniProtKB/SwissProt
PubChemPubMed
n/an/a230.0n/an/a7.430


Duquesne University



J Med Chem. 52: 4892-902 (2009)

Thymidylate Synthase (TS)


Homo sapiens (human)
Pyrrolo[2,3-d]pyrimidine analogue, 5
JPEG
(2-amino-5-[(3,4-dichlorophenyl)sulfanyl]-6-ethyl-3...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
n/an/a230.0n/an/a7.430


Duquesne University



J Med Chem. 49: 1055-65 (2006)

Thymidylate Synthase (TS)


Homo sapiens (human)
Pyrrolo[2,3-d]pyrimidine analogue, 6
JPEG
(2-amino-6-ethyl-5-[(4-nitrophenyl)sulfanyl]-3H,4H,...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
n/an/a240.0n/an/a7.430


Duquesne University



J Med Chem. 49: 1055-65 (2006)

Thymidylate Synthase (TS)


Homo sapiens (human)
thieno[2,3-d]pyrimidine deriv., 2h
JPEG
           
B.MOAD
DrugBank
GoogleScholar
PDB
UniProtKB/SwissProt
PubChemPubMed
n/an/a280.0n/an/a7.430


Duquesne University



J Med Chem. 52: 4892-902 (2009)

Thymidylate Synthase (TS)


Homo sapiens (human)
thieno[2,3-d]pyrimidine deriv., 2k
JPEG
           
B.MOAD
DrugBank
GoogleScholar
PDB
UniProtKB/SwissProt
PubChemPubMed
n/an/a380.0n/an/a7.430


Duquesne University



J Med Chem. 52: 4892-902 (2009)

Thymidylate Synthase (TS)


Homo sapiens (human)
Raltitrexed
JPEG
((2S)-2-[(5-{methyl[(2-methyl-4-oxo-1,4-dihydroquin...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
CSLS
DrugBank
PDB
PubChem
B.MOAD
DrugBank
PDB
PubMed
n/an/a380.0n/an/a7.430


Duquesne University



J Med Chem. 48: 7215-22 (2005)

3D
Thymidylate Synthase (TS)


Homo sapiens (human)
thieno[2,3-d]pyrimidine deriv., 2j
JPEG
           
B.MOAD
DrugBank
GoogleScholar
PDB
UniProtKB/SwissProt
PubChemPubMed
n/an/a390.0n/an/a7.430


Duquesne University



J Med Chem. 52: 4892-902 (2009)

Thymidylate Synthase (TS)


Homo sapiens (human)
Pyrrolo[2, 3-d]pyrimidine analogue, 1a
JPEG
((2S)-2-{[4-({2,4-diamino-5-methyl-7H-pyrrolo[2,3-d...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
n/an/a540.0n/an/a7.430


Duquesne University



J Med Chem. 48: 7215-22 (2005)

Thymidylate Synthase (TS)


Homo sapiens (human)
thieno[2,3-d]pyrimidine deriv., 2f
JPEG
           
B.MOAD
DrugBank
GoogleScholar
PDB
UniProtKB/SwissProt
PubChemPubMed
n/an/a690.0n/an/a7.430


Duquesne University



J Med Chem. 52: 4892-902 (2009)

Thymidylate Synthase (TS)


Homo sapiens (human)
thieno[2,3-d]pyrimidine deriv., 2b
JPEG
           
B.MOAD
DrugBank
GoogleScholar
PDB
UniProtKB/SwissProt
PubChemPubMed
n/an/a750.0n/an/a7.430


Duquesne University



J Med Chem. 52: 4892-902 (2009)

Thymidylate Synthase (TS)


Homo sapiens (human)
Pyrrolo[2,3-d]pyrimidine analogue, 9
JPEG
(2-amino-5-[(4-bromophenyl)sulfanyl]-6-ethyl-3H,4H,...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
n/an/a1000.0n/an/a7.430


Duquesne University



J Med Chem. 49: 1055-65 (2006)

Thymidylate Synthase (TS)


Homo sapiens (human)
Pyrrolo[2,3-d]pyrimidine analogue, 12
JPEG
(2-amino-5-[(3-bromophenyl)sulfanyl]-6-ethyl-3H,4H,...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
n/an/a1100.0n/an/a7.430


Duquesne University



J Med Chem. 49: 1055-65 (2006)

Thymidylate Synthase (TS)


Homo sapiens (human)
thieno[2,3-d]pyrimidine deriv., 2m
JPEG
           
B.MOAD
DrugBank
GoogleScholar
PDB
UniProtKB/SwissProt
PubChemPubMed
n/an/a1100.0n/an/a7.430


Duquesne University



J Med Chem. 52: 4892-902 (2009)

Thymidylate Synthase (TS)


Homo sapiens (human)
thieno[2,3-d]pyrimidine deriv., 2l
JPEG
           
B.MOAD
DrugBank
GoogleScholar
PDB
UniProtKB/SwissProt
PubChemPubMed
n/an/a1200.0n/an/a7.430


Duquesne University



J Med Chem. 52: 4892-902 (2009)

Thymidylate Synthase (TS)


Homo sapiens (human)
Pyrrolo[3,2-d]pyrimidine analogue, 12
JPEG
(2-amino-6-methyl-5-{[4-(trifluoromethoxy)phenyl]me...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
PubChemPubMed
n/an/a1300.0n/an/a7.430


Duquesne University



J Med Chem. 51: 68-76 (2008)

Thymidylate Synthase (TS)


Homo sapiens (human)
thieno[2,3-d]pyrimidine deriv., 2i
JPEG
           
B.MOAD
DrugBank
GoogleScholar
PDB
UniProtKB/SwissProt
PubChemPubMed
n/an/a1300.0n/an/a7.430


Duquesne University



J Med Chem. 52: 4892-902 (2009)

Thymidylate Synthase (TS)


Homo sapiens (human)
Pyrrolo[3,2-d]pyrimidine analogue, 9
JPEG
(2-amino-5-[(4-bromophenyl)methyl]-6-methyl-3H,4H,5...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
PubChemPubMed
n/an/a1300.0n/an/a7.430


Duquesne University



J Med Chem. 51: 68-76 (2008)

Displayed 1 to 50 (of 76 total )  |  Next  |  Last  >>
  • Reorder this table by ec50
  • Reorder this table by ic50
  • Reorder this table by kd
  • Reorder this table by pH
  • Reorder this table by T
  • Change energy unit to:  kcal/mole