Found 7 hits of kd for UniProtKB: P04818 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Thymidylate synthase
(Homo sapiens (Human)) | BDBM82167
(MV1555)Show InChI InChI=1S/C16H16N4OS/c1-12-15(16(21)17-10-9-14-8-5-11-22-14)18-19-20(12)13-6-3-2-4-7-13/h2-8,11H,9-10H2,1H3,(H,17,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.00E+4 | 5.00E+3 | n/a | n/a | n/a | 7.5 | 4 |
University of Washington
| Assay Description
A tritium release assay was used to determin the in vitro inhibitory strengths of various compounds. The inhibitory potency of human TS was determin... |
Chem Biol Drug Des 76: 218-33 (2010)
Article DOI: 10.1111/j.1747-0285.2010.01010.x
BindingDB Entry DOI: 10.7270/Q2ZP44MF |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM82175
(MV1570)Show SMILES O=C(NCCc1c[nH]c2ccccc12)C(\NC(=O)c1cccs1)=C/c1cccs1 Show InChI InChI=1S/C22H19N3O2S2/c26-21(23-10-9-15-14-24-18-7-2-1-6-17(15)18)19(13-16-5-3-11-28-16)25-22(27)20-8-4-12-29-20/h1-8,11-14,24H,9-10H2,(H,23,26)(H,25,27)/b19-13+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.00E+4 | 2.00E+3 | n/a | n/a | n/a | 7.5 | 4 |
University of Washington
| Assay Description
A tritium release assay was used to determin the in vitro inhibitory strengths of various compounds. The inhibitory potency of human TS was determin... |
Chem Biol Drug Des 76: 218-33 (2010)
Article DOI: 10.1111/j.1747-0285.2010.01010.x
BindingDB Entry DOI: 10.7270/Q2ZP44MF |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM82174
(MV1565)Show InChI InChI=1S/C16H15N3OS/c1-2-11-7-8-12(21-11)9-18-19-16(20)14-10-17-15-6-4-3-5-13(14)15/h3-10,17H,2H2,1H3,(H,19,20)/b18-9+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.00E+4 | 1.00E+3 | n/a | n/a | n/a | 7.5 | 4 |
University of Washington
| Assay Description
A tritium release assay was used to determin the in vitro inhibitory strengths of various compounds. The inhibitory potency of human TS was determin... |
Chem Biol Drug Des 76: 218-33 (2010)
Article DOI: 10.1111/j.1747-0285.2010.01010.x
BindingDB Entry DOI: 10.7270/Q2ZP44MF |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50590309
(CHEMBL5196526)Show SMILES CC(C)C[C@H](NC(=O)CC[C@H](NC(=O)c1ccc(NCc2cnc3nc(N)[nH]c(=O)c3n2)cc1)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 4.40E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02107
BindingDB Entry DOI: 10.7270/Q2VH5SS8 |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50027923
(CHEMBL1161227 | Phosphoric acid mono-[3-hydroxy-5-...)Show SMILES ONc1ccn([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)c(=O)n1 |r| Show InChI InChI=1S/C9H14N3O8P/c13-5-3-8(20-6(5)4-19-21(16,17)18)12-2-1-7(11-15)10-9(12)14/h1-2,5-6,8,13,15H,3-4H2,(H,10,11,14)(H2,16,17,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
PubMed
| n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for average apparent binding constant (Kd ) using Scatchard analysis to dTMP synthetase enzyme from chick embryo |
J Med Chem 27: 1259-62 (1984)
BindingDB Entry DOI: 10.7270/Q2M044F6 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50590310
(CHEMBL5195943)Show SMILES CC(C)C[C@H](NC(=O)CC[C@H](NC(=O)c1ccc(NCc2cnc3nc(N)[nH]c(=O)c3n2)cc1)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.20E+5 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02107
BindingDB Entry DOI: 10.7270/Q2VH5SS8 |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50000965
(CHEMBL3228982)Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1cc(\C=C\C(F)(F)F)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C12H14F3N2O8P/c13-12(14,15)2-1-6-4-17(11(20)16-10(6)19)9-3-7(18)8(25-9)5-24-26(21,22)23/h1-2,4,7-9,18H,3,5H2,(H,16,19,20)(H2,21,22,23)/b2-1+/t7-,8+,9+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to thymidylate synthetase (unknown origin) |
J Med Chem 22: 339-40 (1979)
BindingDB Entry DOI: 10.7270/Q2183804 |
More data for this
Ligand-Target Pair | |
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