Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50037695 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Bifunctional purine biosynthesis protein ATIC
(Homo sapiens (Human)) | BDBM50186739
((2S)-2-(4-(6-(2,4-diamino-6-oxo-1,6-dihydropyrimid...)Show SMILES Nc1nc(N)c(CCCC(C(=O)C(F)(F)F)c2ccc(cc2)C(=O)NC(CCc2nnn[nH]2)C(O)=O)c(=O)[nH]1 Show InChI InChI=1S/C22H24F3N9O5/c23-22(24,25)16(35)12(2-1-3-13-17(26)29-21(27)30-19(13)37)10-4-6-11(7-5-10)18(36)28-14(20(38)39)8-9-15-31-33-34-32-15/h4-7,12,14H,1-3,8-9H2,(H,28,36)(H,38,39)(H,31,32,33,34)(H5,26,27,29,30,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AICAR Tfase |
J Med Chem 49: 2998-3002 (2006)
Article DOI: 10.1021/jm0601147 BindingDB Entry DOI: 10.7270/Q2VX0H9X |
More data for this Ligand-Target Pair | |
Bifunctional purine biosynthesis protein ATIC
(Homo sapiens (Human)) | BDBM24693
(10-CF3CO-DDACTHF (5) | 10-CF3CO-DDACTHF, 2 | 2-({4...)Show SMILES Nc1nc(N)c(CCCC(C(=O)C(F)(F)F)c2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)c(=O)[nH]1 Show InChI InChI=1S/C22H24F3N5O7/c23-22(24,25)16(33)12(2-1-3-13-17(26)29-21(27)30-19(13)35)10-4-6-11(7-5-10)18(34)28-14(20(36)37)8-9-15(31)32/h4-7,12,14H,1-3,8-9H2,(H,28,34)(H,31,32)(H,36,37)(H5,26,27,29,30,35) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AICAR Tfase |
J Med Chem 49: 2998-3002 (2006)
Article DOI: 10.1021/jm0601147 BindingDB Entry DOI: 10.7270/Q2VX0H9X |
More data for this Ligand-Target Pair | |
Bifunctional purine biosynthesis protein ATIC
(Homo sapiens (Human)) | BDBM50186740
(CHEMBL381706 | N-((1H-tetrazol-5-yl)methyl)-4-(6-(...)Show SMILES Nc1nc(N)c(CCCC(C(=O)C(F)(F)F)c2ccc(cc2)C(=O)NCc2nnn[nH]2)c(=O)[nH]1 Show InChI InChI=1S/C19H20F3N9O3/c20-19(21,22)14(32)11(2-1-3-12-15(23)26-18(24)27-17(12)34)9-4-6-10(7-5-9)16(33)25-8-13-28-30-31-29-13/h4-7,11H,1-3,8H2,(H,25,33)(H,28,29,30,31)(H5,23,24,26,27,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AICAR Tfase |
J Med Chem 49: 2998-3002 (2006)
Article DOI: 10.1021/jm0601147 BindingDB Entry DOI: 10.7270/Q2VX0H9X |
More data for this Ligand-Target Pair | |
Bifunctional purine biosynthesis protein ATIC
(Homo sapiens (Human)) | BDBM50186741
(2-(4-(6-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-...)Show SMILES Nc1nc(N)c(CCCC(C(=O)C(F)(F)F)c2ccc(cc2)C(=O)NCC(O)=O)c(=O)[nH]1 Show InChI InChI=1S/C19H20F3N5O5/c20-19(21,22)14(30)11(2-1-3-12-15(23)26-18(24)27-17(12)32)9-4-6-10(7-5-9)16(31)25-8-13(28)29/h4-7,11H,1-3,8H2,(H,25,31)(H,28,29)(H5,23,24,26,27,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AICAR Tfase |
J Med Chem 49: 2998-3002 (2006)
Article DOI: 10.1021/jm0601147 BindingDB Entry DOI: 10.7270/Q2VX0H9X |
More data for this Ligand-Target Pair | |
Bifunctional purine biosynthesis protein ATIC
(Homo sapiens (Human)) | BDBM50005518
((S)-2-(4-(2-((R)-2-amino-4-oxo-1,4,5,6,7,8-hexahyd...)Show SMILES Nc1nc2NCC(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)Cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C21H25N5O6/c22-21-25-17-14(19(30)26-21)9-12(10-23-17)2-1-11-3-5-13(6-4-11)18(29)24-15(20(31)32)7-8-16(27)28/h3-6,12,15H,1-2,7-10H2,(H,24,29)(H,27,28)(H,31,32)(H4,22,23,25,26,30)/t12?,15-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AICAR Tfase |
J Med Chem 49: 2998-3002 (2006)
Article DOI: 10.1021/jm0601147 BindingDB Entry DOI: 10.7270/Q2VX0H9X |
More data for this Ligand-Target Pair | |