Found 8 hits of ic50 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 |
|---|
Bifunctional purine biosynthesis protein ATIC/Thymidylate synthase/Trifunctional purine biosynthetic protein adenosine-3
(Homo sapiens (Human)) | BDBM50277355
(CHEMBL4177183)Show SMILES Nc1nc2[nH]c(CC(=O)NCC(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C15H18N6O7/c16-15-20-12-7(13(26)21-15)3-6(18-12)4-9(22)17-5-10(23)19-8(14(27)28)1-2-11(24)25/h3,8H,1-2,4-5H2,(H,17,22)(H,19,23)(H,24,25)(H,27,28)(H4,16,18,20,21,26)/t8-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0780 | n/a | n/a | n/a | n/a | n/a | n/a |
Hebei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of TS/AICARFTase/GARFTase in human KB cells assessed as reduction in cell proliferation in folate free medium after 72 hrs in presence of ... |
Eur J Med Chem 139: 531-541 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.032
BindingDB Entry DOI: 10.7270/Q2WW7M6F |
More data for this
Ligand-Target Pair | |
Bifunctional purine biosynthesis protein ATIC/Thymidylate synthase/Trifunctional purine biosynthetic protein adenosine-3
(Homo sapiens (Human)) | BDBM50277352
(CHEMBL4162649)Show SMILES Nc1nc2[nH]c(CC(=O)NCCCCCC(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C19H26N6O7/c20-19-24-16-11(17(30)25-19)8-10(22-16)9-14(27)21-7-3-1-2-4-13(26)23-12(18(31)32)5-6-15(28)29/h8,12H,1-7,9H2,(H,21,27)(H,23,26)(H,28,29)(H,31,32)(H4,20,22,24,25,30)/t12-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a |
Hebei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of TS/AICARFTase/GARFTase in human KB cells assessed as reduction in cell proliferation in folate free medium after 72 hrs in presence of ... |
Eur J Med Chem 139: 531-541 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.032
BindingDB Entry DOI: 10.7270/Q2WW7M6F |
More data for this
Ligand-Target Pair | |
Bifunctional purine biosynthesis protein ATIC/Thymidylate synthase/Trifunctional purine biosynthetic protein adenosine-3
(Homo sapiens (Human)) | BDBM50277353
(CHEMBL4170578)Show SMILES Nc1nc2[nH]c(CC(=O)Nc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C20H20N6O7/c21-20-25-16-12(18(31)26-20)7-11(23-16)8-14(27)22-10-3-1-9(2-4-10)17(30)24-13(19(32)33)5-6-15(28)29/h1-4,7,13H,5-6,8H2,(H,22,27)(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/t13-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hebei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of TS/AICARFTase/GARFTase in human KB cells assessed as reduction in cell proliferation in folate free medium after 72 hrs in presence of ... |
Eur J Med Chem 139: 531-541 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.032
BindingDB Entry DOI: 10.7270/Q2WW7M6F |
More data for this
Ligand-Target Pair | |
Bifunctional purine biosynthesis protein ATIC/Thymidylate synthase/Trifunctional purine biosynthetic protein adenosine-3
(Homo sapiens (Human)) | BDBM66082
((2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methy...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Hebei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of TS/AICARFTase/GARFTase in human KB cells assessed as reduction in cell proliferation in folate free medium after 72 hrs in presence of ... |
Eur J Med Chem 139: 531-541 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.032
BindingDB Entry DOI: 10.7270/Q2WW7M6F |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Bifunctional purine biosynthesis protein ATIC/Thymidylate synthase/Trifunctional purine biosynthetic protein adenosine-3
(Homo sapiens (Human)) | BDBM50277351
(CHEMBL4174018)Show SMILES Nc1nc2[nH]c(CC(=O)NCCCCC(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C18H24N6O7/c19-18-23-15-10(16(29)24-18)7-9(21-15)8-13(26)20-6-2-1-3-12(25)22-11(17(30)31)4-5-14(27)28/h7,11H,1-6,8H2,(H,20,26)(H,22,25)(H,27,28)(H,30,31)(H4,19,21,23,24,29)/t11-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Hebei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of TS/AICARFTase/GARFTase in human KB cells assessed as reduction in cell proliferation in folate free medium after 72 hrs in presence of ... |
Eur J Med Chem 139: 531-541 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.032
BindingDB Entry DOI: 10.7270/Q2WW7M6F |
More data for this
Ligand-Target Pair | |
Bifunctional purine biosynthesis protein ATIC/Thymidylate synthase/Trifunctional purine biosynthetic protein adenosine-3
(Homo sapiens (Human)) | BDBM50027656
(CHEBI:63616 | LY-2315 | LY-231514 | PEMETREXED | U...)Show SMILES Nc1nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 Show InChI InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Hebei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of TS/AICARFTase/GARFTase in human KB cells assessed as reduction in cell proliferation in folate free medium after 72 hrs in presence of ... |
Eur J Med Chem 139: 531-541 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.032
BindingDB Entry DOI: 10.7270/Q2WW7M6F |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Bifunctional purine biosynthesis protein ATIC/Thymidylate synthase/Trifunctional purine biosynthetic protein adenosine-3
(Homo sapiens (Human)) | BDBM50277357
(CHEMBL4163732)Show SMILES Nc1nc2[nH]c(CC(=O)NCCC(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C16H20N6O7/c17-16-21-13-8(14(27)22-16)5-7(19-13)6-11(24)18-4-3-10(23)20-9(15(28)29)1-2-12(25)26/h5,9H,1-4,6H2,(H,18,24)(H,20,23)(H,25,26)(H,28,29)(H4,17,19,21,22,27)/t9-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
Hebei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of TS/AICARFTase/GARFTase in human KB cells assessed as reduction in cell proliferation in folate free medium after 72 hrs in presence of ... |
Eur J Med Chem 139: 531-541 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.032
BindingDB Entry DOI: 10.7270/Q2WW7M6F |
More data for this
Ligand-Target Pair | |
Bifunctional purine biosynthesis protein ATIC/Thymidylate synthase/Trifunctional purine biosynthetic protein adenosine-3
(Homo sapiens (Human)) | BDBM50277354
(CHEMBL4166099)Show SMILES Nc1nc2[nH]c(CC(=O)NCCCC(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C17H22N6O7/c18-17-22-14-9(15(28)23-17)6-8(20-14)7-12(25)19-5-1-2-11(24)21-10(16(29)30)3-4-13(26)27/h6,10H,1-5,7H2,(H,19,25)(H,21,24)(H,26,27)(H,29,30)(H4,18,20,22,23,28)/t10-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 107 | n/a | n/a | n/a | n/a | n/a | n/a |
Hebei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of TS/AICARFTase/GARFTase in human KB cells assessed as reduction in cell proliferation in folate free medium after 72 hrs in presence of ... |
Eur J Med Chem 139: 531-541 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.032
BindingDB Entry DOI: 10.7270/Q2WW7M6F |
More data for this
Ligand-Target Pair | |
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