Found 11 hits of 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 |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50157638
(CHEMBL3787137)Show SMILES OC(Cn1cc(\C=C2/C(=O)Nc3ccccc23)c2ccccc12)Cn1cc(\C=C2/C(=O)Nc3ccccc23)c2ccccc12 Show InChI InChI=1S/C37H28N4O3/c42-25(21-40-19-23(26-9-3-7-15-34(26)40)17-30-28-11-1-5-13-32(28)38-36(30)43)22-41-20-24(27-10-4-8-16-35(27)41)18-31-29-12-2-6-14-33(29)39-37(31)44/h1-20,25,42H,21-22H2,(H,38,43)(H,39,44)/b30-17-,31-18- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guru Nanak Dev University
Curated by ChEMBL
| Assay Description Inhibition of human DHFR assessed as conversion of dihydrofolic acid to tetrahydrfolic acid by enzyme immunoassay in presence of NADPH |
Bioorg Med Chem Lett 26: 1936-40 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.015 BindingDB Entry DOI: 10.7270/Q2DB83RX |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50157638
(CHEMBL3787137)Show SMILES OC(Cn1cc(\C=C2/C(=O)Nc3ccccc23)c2ccccc12)Cn1cc(\C=C2/C(=O)Nc3ccccc23)c2ccccc12 Show InChI InChI=1S/C37H28N4O3/c42-25(21-40-19-23(26-9-3-7-15-34(26)40)17-30-28-11-1-5-13-32(28)38-36(30)43)22-41-20-24(27-10-4-8-16-35(27)41)18-31-29-12-2-6-14-33(29)39-37(31)44/h1-20,25,42H,21-22H2,(H,38,43)(H,39,44)/b30-17-,31-18- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Guru Nanak Dev University
Curated by ChEMBL
| Assay Description Inhibition of human DHFR assessed as conversion of dihydrofolic acid to tetrahydrfolic acid by enzyme immunoassay in presence of NADPH |
Bioorg Med Chem Lett 26: 1936-40 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.015 BindingDB Entry DOI: 10.7270/Q2DB83RX |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50157639
(CHEMBL3786413)Show SMILES Nc1ccc2NC(=O)\C(=C/c3cn(CC(O)Cn4cc(\C=C5/C(=O)Nc6ccc(N)cc56)c5ccccc45)c4ccccc34)c2c1 Show InChI InChI=1S/C37H30N6O3/c38-23-9-11-32-28(15-23)30(36(45)40-32)13-21-17-42(34-7-3-1-5-26(21)34)19-25(44)20-43-18-22(27-6-2-4-8-35(27)43)14-31-29-16-24(39)10-12-33(29)41-37(31)46/h1-18,25,44H,19-20,38-39H2,(H,40,45)(H,41,46)/b30-13-,31-14- | PDB MMDB
NCI pathway 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 | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Guru Nanak Dev University
Curated by ChEMBL
| Assay Description Inhibition of human DHFR assessed as conversion of dihydrofolic acid to tetrahydrfolic acid by enzyme immunoassay in presence of NADPH |
Bioorg Med Chem Lett 26: 1936-40 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.015 BindingDB Entry DOI: 10.7270/Q2DB83RX |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50156385
(CHEMBL2163553)Show InChI InChI=1S/C17H15NO4/c1-21-14-8-10(9-15(22-2)16(14)19)7-12-11-5-3-4-6-13(11)18-17(12)20/h3-9,19H,1-2H3,(H,18,20)/b12-7- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Guru Nanak Dev University
Curated by ChEMBL
| Assay Description Inhibition of human DHFR assessed as conversion of dihydrofolic acid to tetrahydrfolic acid by enzyme immunoassay in presence of NADPH |
Bioorg Med Chem Lett 26: 1936-40 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.015 BindingDB Entry DOI: 10.7270/Q2DB83RX |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50157637
(CHEMBL3785463)Show SMILES OC(Cn1cc(\C=C2/C(=O)Nc3ccc(cc23)[N+]([O-])=O)c2ccccc12)Cn1cc(\C=C2/C(=O)Nc3ccc(cc23)[N+]([O-])=O)c2ccccc12 Show InChI InChI=1S/C37H26N6O7/c44-25(19-40-17-21(26-5-1-3-7-34(26)40)13-30-28-15-23(42(47)48)9-11-32(28)38-36(30)45)20-41-18-22(27-6-2-4-8-35(27)41)14-31-29-16-24(43(49)50)10-12-33(29)39-37(31)46/h1-18,25,44H,19-20H2,(H,38,45)(H,39,46)/b30-13-,31-14- | PDB MMDB
NCI pathway 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 | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Guru Nanak Dev University
Curated by ChEMBL
| Assay Description Inhibition of human DHFR assessed as conversion of dihydrofolic acid to tetrahydrfolic acid by enzyme immunoassay in presence of NADPH |
Bioorg Med Chem Lett 26: 1936-40 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.015 BindingDB Entry DOI: 10.7270/Q2DB83RX |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM18050
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| 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 MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Guru Nanak Dev University
Curated by ChEMBL
| Assay Description Inhibition of human DHFR assessed as conversion of dihydrofolic acid to tetrahydrfolic acid by enzyme immunoassay in presence of NADPH |
Bioorg Med Chem Lett 26: 1936-40 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.015 BindingDB Entry DOI: 10.7270/Q2DB83RX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50156442
(CHEMBL3786170)Show SMILES [#8]-[#6](-[#6]-n1cc(\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)c2ccccc12)-[#6]-n1cc(\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)c2ccccc12 Show InChI InChI=1S/C29H22N6O7/c36-17(13-34-11-15(18-5-1-3-7-22(18)34)9-20-24(37)30-28(41)31-25(20)38)14-35-12-16(19-6-2-4-8-23(19)35)10-21-26(39)32-29(42)33-27(21)40/h1-12,17,36H,13-14H2,(H2,30,31,37,38,41)(H2,32,33,39,40,42) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Guru Nanak Dev University
Curated by ChEMBL
| Assay Description Inhibition of human DHFR assessed as conversion of dihydrofolic acid to tetrahydrfolic acid by enzyme immunoassay in presence of NADPH |
Bioorg Med Chem Lett 26: 1936-40 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.015 BindingDB Entry DOI: 10.7270/Q2DB83RX |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50156388
(CHEMBL3786155)Show SMILES [#8]-[#6](-[#6]-n1cc(\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)c2ccccc12)-[#6]-n1cc(\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)c2ccccc12 Show InChI InChI=1S/C29H22N6O5S2/c36-17(13-34-11-15(18-5-1-3-7-22(18)34)9-20-24(37)30-28(41)31-25(20)38)14-35-12-16(19-6-2-4-8-23(19)35)10-21-26(39)32-29(42)33-27(21)40/h1-12,17,36H,13-14H2,(H2,30,31,37,38,41)(H2,32,33,39,40,42) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Guru Nanak Dev University
Curated by ChEMBL
| Assay Description Inhibition of human DHFR assessed as conversion of dihydrofolic acid to tetrahydrfolic acid by enzyme immunoassay in presence of NADPH |
Bioorg Med Chem Lett 26: 1936-40 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.015 BindingDB Entry DOI: 10.7270/Q2DB83RX |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50156443
(CHEMBL3785863)Show SMILES OC(Cn1cc(\C=C2/C(=O)N(c3ccccc23)c2c(Cl)cccc2Cl)c2ccccc12)Cn1cc(\C=C2/C(=O)N(c3ccccc23)c2c(Cl)cccc2Cl)c2ccccc12 Show InChI InChI=1S/C49H32Cl4N4O3/c50-38-15-9-16-39(51)46(38)56-44-21-7-3-13-34(44)36(48(56)59)23-29-25-54(42-19-5-1-11-32(29)42)27-31(58)28-55-26-30(33-12-2-6-20-43(33)55)24-37-35-14-4-8-22-45(35)57(49(37)60)47-40(52)17-10-18-41(47)53/h1-26,31,58H,27-28H2/b36-23-,37-24- | PDB MMDB
NCI pathway 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 | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Guru Nanak Dev University
Curated by ChEMBL
| Assay Description Inhibition of human DHFR assessed as conversion of dihydrofolic acid to tetrahydrfolic acid by enzyme immunoassay in presence of NADPH |
Bioorg Med Chem Lett 26: 1936-40 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.015 BindingDB Entry DOI: 10.7270/Q2DB83RX |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50156387
(CHEMBL3785302)Show SMILES [#6]-[#7]-1-[#6](=O)-[#7](-[#6])-[#6](=O)\[#6](=[#6]/c2cn(-[#6]-[#6](-[#8])-[#6]-n3cc(\[#6]=[#6]-4/[#6](=O)-[#7](-[#6])-[#6](=O)-[#7](-[#6])-[#6]-4=O)c4ccccc34)c3ccccc23)-[#6]-1=O Show InChI InChI=1S/C33H30N6O7/c1-34-28(41)24(29(42)35(2)32(34)45)13-19-15-38(26-11-7-5-9-22(19)26)17-21(40)18-39-16-20(23-10-6-8-12-27(23)39)14-25-30(43)36(3)33(46)37(4)31(25)44/h5-16,21,40H,17-18H2,1-4H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Guru Nanak Dev University
Curated by ChEMBL
| Assay Description Inhibition of human DHFR assessed as conversion of dihydrofolic acid to tetrahydrfolic acid by enzyme immunoassay in presence of NADPH |
Bioorg Med Chem Lett 26: 1936-40 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.015 BindingDB Entry DOI: 10.7270/Q2DB83RX |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50156386
(CHEMBL3785354)Show SMILES CC1=NN(C(=O)\C1=C/c1cn(CC(O)Cn2cc(\C=C3\C(C)=NN(C3=O)c3cccc(Cl)c3)c3ccccc23)c2ccccc12)c1cccc(Cl)c1 |c:22,t:1| Show InChI InChI=1S/C41H32Cl2N6O3/c1-25-36(40(51)48(44-25)31-11-7-9-29(42)19-31)17-27-21-46(38-15-5-3-13-34(27)38)23-33(50)24-47-22-28(35-14-4-6-16-39(35)47)18-37-26(2)45-49(41(37)52)32-12-8-10-30(43)20-32/h3-22,33,50H,23-24H2,1-2H3/b36-17-,37-18- | PDB MMDB
NCI pathway 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 | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Guru Nanak Dev University
Curated by ChEMBL
| Assay Description Inhibition of human DHFR assessed as conversion of dihydrofolic acid to tetrahydrfolic acid by enzyme immunoassay in presence of NADPH |
Bioorg Med Chem Lett 26: 1936-40 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.015 BindingDB Entry DOI: 10.7270/Q2DB83RX |
More data for this Ligand-Target Pair | |