Found 3 hits Enzyme Inhibition Constant Data 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
(592/592 = 100%)† (Homo sapiens (Human)) | BDBM50243396
(CHEMBL1231520)Show SMILES Nc1nc2ccc(NS(=O)(=O)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C20H19N5O8S/c21-20-23-14-6-3-11(9-13(14)18(29)24-20)25-34(32,33)12-4-1-10(2-5-12)17(28)22-15(19(30)31)7-8-16(26)27/h1-6,9,15,25H,7-8H2,(H,22,28)(H,26,27)(H,30,31)(H3,21,23,24,29)/t15-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human AICARFT |
J Med Chem 60: 9599-9616 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01046 BindingDB Entry DOI: 10.7270/Q2222X6J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional purine biosynthesis protein ATIC
(592/592 = 100%)† (Homo sapiens (Human)) | BDBM50243396
(CHEMBL1231520)Show SMILES Nc1nc2ccc(NS(=O)(=O)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C20H19N5O8S/c21-20-23-14-6-3-11(9-13(14)18(29)24-20)25-34(32,33)12-4-1-10(2-5-12)17(28)22-15(19(30)31)7-8-16(26)27/h1-6,9,15,25H,7-8H2,(H,22,28)(H,26,27)(H,30,31)(H3,21,23,24,29)/t15-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human full length N-terminal His-tagged AICARFT expressed in Escherichia coli BL21 (DE3) using ZMP/10-formyltetrahydrofolate as substra... |
J Med Chem 60: 9599-9616 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01046 BindingDB Entry DOI: 10.7270/Q2222X6J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional purine biosynthesis protein ATIC
(592/592 = 100%)† (Homo sapiens (Human)) | BDBM22579
(AICAR | Aminoimidazole-4-carboxamide ribonucleotid...)Show SMILES NC(=O)c1ncn([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)c1N Show InChI InChI=1S/C9H15N4O8P/c10-7-4(8(11)16)12-2-13(7)9-6(15)5(14)3(21-9)1-20-22(17,18)19/h2-3,5-6,9,14-15H,1,10H2,(H2,11,16)(H2,17,18,19)/t3-,5-,6-,9-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Pennsylvania State University
Curated by ChEMBL
| Assay Description Inhibitory activity against AICAR formyltransferase |
J Med Chem 42: 3421-4 (1999)
Article DOI: 10.1021/jm990323+ BindingDB Entry DOI: 10.7270/Q23X879T |
More data for this Ligand-Target Pair | 3D Structure (crystal) |