Found 17 hits of ec50 for UniProtKB: P31939 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
(Homo sapiens (Human)) | BDBM50243463
(CHEMBL4100363)Show SMILES CCC1(C)CC(=CNC1=O)c1ccc(s1)S(=O)(=O)Nc1cc2c(cc[nH]c2=O)cc1F |c:5| Show InChI InChI=1S/C21H20FN3O4S2/c1-3-21(2)10-13(11-24-20(21)27)17-4-5-18(30-17)31(28,29)25-16-9-14-12(8-15(16)22)6-7-23-19(14)26/h4-9,11,25H,3,10H2,1-2H3,(H,23,26)(H,24,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of AICARFT in human NCI-H460 cells assessed as increase in ZMP levels using low folate media after 16 hrs by LC-MS method |
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
(Homo sapiens (Human)) | BDBM50243415
(CHEMBL4063104)Show SMILES O[C@@H]1CCN(C1)c1ccc(s1)S(=O)(=O)Nc1cc2c(cc[nH]c2=O)cc1F |r| Show InChI InChI=1S/C17H16FN3O4S2/c18-13-7-10-3-5-19-17(23)12(10)8-14(13)20-27(24,25)16-2-1-15(26-16)21-6-4-11(22)9-21/h1-3,5,7-8,11,20,22H,4,6,9H2,(H,19,23)/t11-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 7.60 | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of AICARFT in human MDA-MB-231 cells assessed as increase in ZMP levels using low folate media after 16 hrs by LC-MS method |
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
(Homo sapiens (Human)) | BDBM50243486
(CHEMBL4081385)Show SMILES O[C@@H]1CN(C[C@@H]1F)c1ccc(s1)S(=O)(=O)Nc1cc2c(cc[nH]c2=O)cc1F |r| Show InChI InChI=1S/C17H15F2N3O4S2/c18-11-5-9-3-4-20-17(24)10(9)6-13(11)21-28(25,26)16-2-1-15(27-16)22-7-12(19)14(23)8-22/h1-6,12,14,21,23H,7-8H2,(H,20,24)/t12-,14+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 7.90 | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of AICARFT in human NCI-H460 cells assessed as increase in ZMP levels using low folate media after 16 hrs by LC-MS method |
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 | |
Bifunctional purine biosynthesis protein ATIC
(Homo sapiens (Human)) | BDBM50243415
(CHEMBL4063104)Show SMILES O[C@@H]1CCN(C1)c1ccc(s1)S(=O)(=O)Nc1cc2c(cc[nH]c2=O)cc1F |r| Show InChI InChI=1S/C17H16FN3O4S2/c18-13-7-10-3-5-19-17(23)12(10)8-14(13)20-27(24,25)16-2-1-15(26-16)21-6-4-11(22)9-21/h1-3,5,7-8,11,20,22H,4,6,9H2,(H,19,23)/t11-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 8 | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of AICARFT in human NCI-H460 cells assessed as increase in ZMP levels using low folate media after 16 hrs by LC-MS method |
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
(Homo sapiens (Human)) | BDBM50243462
(CHEMBL4083899)Show SMILES CC1(C)CC(=CNC1=O)c1ccc(s1)S(=O)(=O)Nc1cc2c(cc[nH]c2=O)cc1F |c:4| Show InChI InChI=1S/C20H18FN3O4S2/c1-20(2)9-12(10-23-19(20)26)16-3-4-17(29-16)30(27,28)24-15-8-13-11(7-14(15)21)5-6-22-18(13)25/h3-8,10,24H,9H2,1-2H3,(H,22,25)(H,23,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of AICARFT in human NCI-H460 cells assessed as increase in ZMP levels using low folate media after 16 hrs by LC-MS method |
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 | |
Bifunctional purine biosynthesis protein ATIC
(Homo sapiens (Human)) | BDBM50243442
(CHEMBL4099409)Show SMILES O[C@H]1CN(C[C@H]1F)c1ccc(s1)S(=O)(=O)Nc1cc2c(cc[nH]c2=O)cc1F |r| Show InChI InChI=1S/C17H15F2N3O4S2/c18-11-5-9-3-4-20-17(24)10(9)6-13(11)21-28(25,26)16-2-1-15(27-16)22-7-12(19)14(23)8-22/h1-6,12,14,21,23H,7-8H2,(H,20,24)/t12-,14+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 17 | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of AICARFT in human NCI-H460 cells assessed as increase in ZMP levels using low folate media after 16 hrs by LC-MS method |
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 | |
Bifunctional purine biosynthesis protein ATIC
(Homo sapiens (Human)) | BDBM50243434
(CHEMBL4079085)Show SMILES O[C@H]1CCCN(C1)c1ccc(s1)S(=O)(=O)Nc1cc2c(cc[nH]c2=O)cc1F |r| Show InChI InChI=1S/C18H18FN3O4S2/c19-14-8-11-5-6-20-18(24)13(11)9-15(14)21-28(25,26)17-4-3-16(27-17)22-7-1-2-12(23)10-22/h3-6,8-9,12,21,23H,1-2,7,10H2,(H,20,24)/t12-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 18 | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of AICARFT in human NCI-H460 cells assessed as increase in ZMP levels using low folate media after 16 hrs by LC-MS method |
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 | |
Bifunctional purine biosynthesis protein ATIC
(Homo sapiens (Human)) | BDBM50243441
(CHEMBL4076500)Show SMILES OC1CCN(CC1)c1ccc(s1)S(=O)(=O)Nc1cc2c(cc[nH]c2=O)cc1F Show InChI InChI=1S/C18H18FN3O4S2/c19-14-9-11-3-6-20-18(24)13(11)10-15(14)21-28(25,26)17-2-1-16(27-17)22-7-4-12(23)5-8-22/h1-3,6,9-10,12,21,23H,4-5,7-8H2,(H,20,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 21 | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of AICARFT in human NCI-H460 cells assessed as increase in ZMP levels using low folate media after 16 hrs by LC-MS method |
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 | |
Bifunctional purine biosynthesis protein ATIC
(Homo sapiens (Human)) | BDBM50243485
(CHEMBL4074469)Show SMILES O[C@H]1CCN(C1)c1ccc(s1)S(=O)(=O)Nc1cc2c(cc[nH]c2=O)cc1F |r| Show InChI InChI=1S/C17H16FN3O4S2/c18-13-7-10-3-5-19-17(23)12(10)8-14(13)20-27(24,25)16-2-1-15(26-16)21-6-4-11(22)9-21/h1-3,5,7-8,11,20,22H,4,6,9H2,(H,19,23)/t11-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 25 | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of AICARFT in human NCI-H460 cells assessed as increase in ZMP levels using low folate media after 16 hrs by LC-MS method |
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 | |
Bifunctional purine biosynthesis protein ATIC
(Homo sapiens (Human)) | BDBM50243487
(CHEMBL4091668)Show SMILES O[C@@H]1CN(CC1(F)F)c1ccc(s1)S(=O)(=O)Nc1cc2c(cc[nH]c2=O)cc1F |r| Show InChI InChI=1S/C17H14F3N3O4S2/c18-11-5-9-3-4-21-16(25)10(9)6-12(11)22-29(26,27)15-2-1-14(28-15)23-7-13(24)17(19,20)8-23/h1-6,13,22,24H,7-8H2,(H,21,25)/t13-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 27 | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of AICARFT in human NCI-H460 cells assessed as increase in ZMP levels using low folate media after 16 hrs by LC-MS method |
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 | |
Bifunctional purine biosynthesis protein ATIC
(Homo sapiens (Human)) | BDBM50243443
(CHEMBL4070790)Show SMILES O[C@H]1CN(CC1(F)F)c1ccc(s1)S(=O)(=O)Nc1cc2c(cc[nH]c2=O)cc1F |r| Show InChI InChI=1S/C17H14F3N3O4S2/c18-11-5-9-3-4-21-16(25)10(9)6-12(11)22-29(26,27)15-2-1-14(28-15)23-7-13(24)17(19,20)8-23/h1-6,13,22,24H,7-8H2,(H,21,25)/t13-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 31 | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of AICARFT in human NCI-H460 cells assessed as increase in ZMP levels using low folate media after 16 hrs by LC-MS method |
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 | |
Bifunctional purine biosynthesis protein ATIC
(Homo sapiens (Human)) | BDBM50243461
(CHEMBL4075503)Show SMILES Fc1cc2cc[nH]c(=O)c2cc1NS(=O)(=O)c1ccc(s1)-c1ccc(=O)[nH]c1 Show InChI InChI=1S/C18H12FN3O4S2/c19-13-7-10-5-6-20-18(24)12(10)8-14(13)22-28(25,26)17-4-2-15(27-17)11-1-3-16(23)21-9-11/h1-9,22H,(H,20,24)(H,21,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 62 | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of AICARFT in human NCI-H460 cells assessed as increase in ZMP levels using low folate media after 16 hrs by LC-MS method |
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 | |
Bifunctional purine biosynthesis protein ATIC
(Homo sapiens (Human)) | BDBM50243433
(CHEMBL4101204)Show SMILES O[C@@H]1CCCN(C1)c1ccc(s1)S(=O)(=O)Nc1cc2c(cc[nH]c2=O)cc1F |r| Show InChI InChI=1S/C18H18FN3O4S2/c19-14-8-11-5-6-20-18(24)13(11)9-15(14)21-28(25,26)17-4-3-16(27-17)22-7-1-2-12(23)10-22/h3-6,8-9,12,21,23H,1-2,7,10H2,(H,20,24)/t12-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 68 | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of AICARFT in human NCI-H460 cells assessed as increase in ZMP levels using low folate media after 16 hrs by LC-MS method |
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 | |
Bifunctional purine biosynthesis protein ATIC
(Homo sapiens (Human)) | BDBM50243415
(CHEMBL4063104)Show SMILES O[C@@H]1CCN(C1)c1ccc(s1)S(=O)(=O)Nc1cc2c(cc[nH]c2=O)cc1F |r| Show InChI InChI=1S/C17H16FN3O4S2/c18-13-7-10-3-5-19-17(23)12(10)8-14(13)20-27(24,25)16-2-1-15(26-16)21-6-4-11(22)9-21/h1-3,5,7-8,11,20,22H,4,6,9H2,(H,19,23)/t11-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 73 | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of AICARFT in human MDA-MB-231 cells assessed as increase in ZMP levels using regular folate media after 16 hrs by LC-MS method |
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
(Homo sapiens (Human)) | BDBM50243415
(CHEMBL4063104)Show SMILES O[C@@H]1CCN(C1)c1ccc(s1)S(=O)(=O)Nc1cc2c(cc[nH]c2=O)cc1F |r| Show InChI InChI=1S/C17H16FN3O4S2/c18-13-7-10-3-5-19-17(23)12(10)8-14(13)20-27(24,25)16-2-1-15(26-16)21-6-4-11(22)9-21/h1-3,5,7-8,11,20,22H,4,6,9H2,(H,19,23)/t11-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 356 | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of AICARFT in human NCI-H460 cells assessed as increase in ZMP levels using regular folate media after 16 hrs by LC-MS method |
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
(Homo sapiens (Human)) | BDBM50243477
(CHEMBL4092503)Show SMILES O=c1[nH]ccc2ccc(NS(=O)(=O)c3ccc(cc3)C#N)cc12 Show InChI InChI=1S/C16H11N3O3S/c17-10-11-1-5-14(6-2-11)23(21,22)19-13-4-3-12-7-8-18-16(20)15(12)9-13/h1-9,19H,(H,18,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 567 | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of AICARFT in human NCI-H460 cells assessed as increase in ZMP levels using low folate media after 16 hrs by LC-MS method |
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 | |
Bifunctional purine biosynthesis protein ATIC
(Homo sapiens (Human)) | BDBM50243414
(CHEMBL4084757)Show SMILES Fc1cc2cc[nH]c(=O)c2cc1NS(=O)(=O)c1ccc(cc1)C#N Show InChI InChI=1S/C16H10FN3O3S/c17-14-7-11-5-6-19-16(21)13(11)8-15(14)20-24(22,23)12-3-1-10(9-18)2-4-12/h1-8,20H,(H,19,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.81E+3 | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of AICARFT in human NCI-H460 cells assessed as increase in ZMP levels using low folate media after 16 hrs by LC-MS method |
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 | |