Found 129 hits of ki for UniProtKB: P07607 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 |
Thymidylate synthase
(Mus musculus) | BDBM50049168
((R)-2-((S)-4-Carboxy-4-{4-[(2,7-dimethyl-4-oxo-3,4...)Show SMILES Cc1nc2cc(C)c(CN(CC#C)c3ccc(C(=O)N[C@@H](CCC(=O)N[C@H](CCCC(O)=O)C(O)=O)C(O)=O)c(F)c3)cc2c(=O)[nH]1 Show InChI InChI=1S/C32H34FN5O9/c1-4-12-38(16-19-14-22-26(13-17(19)2)34-18(3)35-30(22)43)20-8-9-21(23(33)15-20)29(42)37-25(32(46)47)10-11-27(39)36-24(31(44)45)6-5-7-28(40)41/h1,8-9,13-15,24-25H,5-7,10-12,16H2,2-3H3,(H,36,39)(H,37,42)(H,40,41)(H,44,45)(H,46,47)(H,34,35,43)/t24-,25+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Binding affinity of the compound against L1210 Thymidylate synthase. |
J Med Chem 39: 73-85 (1996)
Article DOI: 10.1021/jm950471+ BindingDB Entry DOI: 10.7270/Q2WH2P2S |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50403879
(CHEMBL320217)Show SMILES Cc1nc2cc3CC[C@H](N(CC#C)c4ccc(cc4)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(O)=O)c4nnn[nH]4)C(O)=O)c3cc2c(=O)[nH]1 Show InChI InChI=1S/C32H33N9O7/c1-3-14-41(26-11-6-19-15-25-22(16-21(19)26)31(46)34-17(2)33-25)20-7-4-18(5-8-20)30(45)36-24(32(47)48)9-12-27(42)35-23(10-13-28(43)44)29-37-39-40-38-29/h1,4-5,7-8,15-16,23-24,26H,6,9-14H2,2H3,(H,35,42)(H,36,45)(H,43,44)(H,47,48)(H,33,34,46)(H,37,38,39,40)/t23-,24+,26+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description Tested for inhibitory activity against thymidylate synthase of L1210 cells |
Bioorg Med Chem Lett 11: 3015-7 (2001)
BindingDB Entry DOI: 10.7270/Q2NK3G7F |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50088159
(4-[3-Carboxy-1-(1H-tetrazol-5-yl)-propylcarbamoyl]...)Show SMILES Cc1nc2cc3CCC(N(CC#C)c4ccc(cc4)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(O)=O)c4nnn[nH]4)C(O)=O)c3cc2c(=O)[nH]1 Show InChI InChI=1S/C32H33N9O7/c1-3-14-41(26-11-6-19-15-25-22(16-21(19)26)31(46)34-17(2)33-25)20-7-4-18(5-8-20)30(45)36-24(32(47)48)9-12-27(42)35-23(10-13-28(43)44)29-37-39-40-38-29/h1,4-5,7-8,15-16,23-24,26H,6,9-14H2,2H3,(H,35,42)(H,36,45)(H,43,44)(H,47,48)(H,33,34,46)(H,37,38,39,40)/t23-,24+,26?/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Binding affinity against thymidylate synthase from L1210 mouse leukemia cells |
J Med Chem 43: 1910-26 (2000)
BindingDB Entry DOI: 10.7270/Q2KP81DM |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50088159
(4-[3-Carboxy-1-(1H-tetrazol-5-yl)-propylcarbamoyl]...)Show SMILES Cc1nc2cc3CCC(N(CC#C)c4ccc(cc4)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(O)=O)c4nnn[nH]4)C(O)=O)c3cc2c(=O)[nH]1 Show InChI InChI=1S/C32H33N9O7/c1-3-14-41(26-11-6-19-15-25-22(16-21(19)26)31(46)34-17(2)33-25)20-7-4-18(5-8-20)30(45)36-24(32(47)48)9-12-27(42)35-23(10-13-28(43)44)29-37-39-40-38-29/h1,4-5,7-8,15-16,23-24,26H,6,9-14H2,2H3,(H,35,42)(H,36,45)(H,43,44)(H,47,48)(H,33,34,46)(H,37,38,39,40)/t23-,24+,26?/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description Tested for inhibitory activity against thymidylate synthase of L1210 cells |
Bioorg Med Chem Lett 11: 3015-7 (2001)
BindingDB Entry DOI: 10.7270/Q2NK3G7F |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50408128
(CHEMBL30179)Show SMILES Cc1nc2cc(C)c(CN(CC#C)c3ccc(C(=O)N[C@@H](CCC(O)=O)C(=O)N(CC#C)[C@@H](CCC(O)=O)C(O)=O)c(F)c3)cc2c(=O)[nH]1 Show InChI InChI=1S/C34H34FN5O9/c1-5-13-39(18-21-16-24-27(15-19(21)3)36-20(4)37-32(24)46)22-7-8-23(25(35)17-22)31(45)38-26(9-11-29(41)42)33(47)40(14-6-2)28(34(48)49)10-12-30(43)44/h1-2,7-8,15-17,26,28H,9-14,18H2,3-4H3,(H,38,45)(H,41,42)(H,43,44)(H,48,49)(H,36,37,46)/t26-,28-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of Thymidylate Synthase(TS) from mouse L1210 cells |
J Med Chem 40: 1495-510 (1997)
Article DOI: 10.1021/jm960878u BindingDB Entry DOI: 10.7270/Q2862HP3 |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50088168
(2-(4-Carboxy-4-{4-[(2-methyl-4-oxo-4,6,7,8-tetrahy...)Show SMILES Cc1nc2cc3CCC(N(CC#C)c4ccc(cc4)C(=O)N[C@@H](CCC(=O)N[C@@H](CCc4nnnn4CC(O)=O)C(O)=O)C(O)=O)c3cc2c(=O)[nH]1 Show InChI InChI=1S/C34H35N9O9/c1-3-14-42(27-11-6-20-15-26-23(16-22(20)27)32(48)36-18(2)35-26)21-7-4-19(5-8-21)31(47)38-25(34(51)52)10-13-29(44)37-24(33(49)50)9-12-28-39-40-41-43(28)17-30(45)46/h1,4-5,7-8,15-16,24-25,27H,6,9-14,17H2,2H3,(H,37,44)(H,38,47)(H,45,46)(H,49,50)(H,51,52)(H,35,36,48)/t24-,25-,27?/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Binding affinity against thymidylate synthase from L1210 mouse leukemia cells |
J Med Chem 43: 1910-26 (2000)
BindingDB Entry DOI: 10.7270/Q2KP81DM |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50406713
(CHEMBL1202139)Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C40H45N7O15/c1-3-18-47(20-22-4-9-26-25(19-22)36(54)42-21(2)41-26)24-7-5-23(6-8-24)35(53)46-30(40(61)62)12-16-33(50)44-28(38(57)58)10-14-31(48)43-27(37(55)56)11-15-32(49)45-29(39(59)60)13-17-34(51)52/h1,4-9,19,27-30H,10-18,20H2,2H3,(H,43,48)(H,44,50)(H,45,49)(H,46,53)(H,51,52)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,41,42,54)/t27-,28-,29-,30-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| PubMed
| 0.270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of thymidylate synthase, partially purified from L1210 mouse leukemia cells overexpressing TS |
J Med Chem 35: 859-66 (1992)
BindingDB Entry DOI: 10.7270/Q2G44RG7 |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50403876
(CHEMBL323098)Show SMILES Cc1nc2cc3CC[C@H](N(CC#C)c4ccc(cc4)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(O)=O)C(O)=O)C(O)=O)c3cc2c(=O)[nH]1 Show InChI InChI=1S/C32H33N5O9/c1-3-14-37(26-11-6-19-15-25-22(16-21(19)26)30(42)34-17(2)33-25)20-7-4-18(5-8-20)29(41)36-24(32(45)46)9-12-27(38)35-23(31(43)44)10-13-28(39)40/h1,4-5,7-8,15-16,23-24,26H,6,9-14H2,2H3,(H,35,38)(H,36,41)(H,39,40)(H,43,44)(H,45,46)(H,33,34,42)/t23-,24+,26+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| PubMed
| 0.330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description Tested for inhibitory activity against thymidylate synthase of L1210 cells |
Bioorg Med Chem Lett 11: 3015-7 (2001)
BindingDB Entry DOI: 10.7270/Q2NK3G7F |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50408130
(CHEMBL35926)Show SMILES CCN([C@@H](CCC(O)=O)C(O)=O)C(=O)[C@H](CCC(O)=O)NC(=O)c1ccc(cc1F)N(CC#C)Cc1cc2c(cc1C)nc(C)[nH]c2=O Show InChI InChI=1S/C33H36FN5O9/c1-5-13-38(17-20-15-23-26(14-18(20)3)35-19(4)36-31(23)45)21-7-8-22(24(34)16-21)30(44)37-25(9-11-28(40)41)32(46)39(6-2)27(33(47)48)10-12-29(42)43/h1,7-8,14-16,25,27H,6,9-13,17H2,2-4H3,(H,37,44)(H,40,41)(H,42,43)(H,47,48)(H,35,36,45)/t25-,27-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of Thymidylate Synthase(TS) from mouse L1210 cells |
J Med Chem 40: 1495-510 (1997)
Article DOI: 10.1021/jm960878u BindingDB Entry DOI: 10.7270/Q2862HP3 |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50406714
(CHEMBL264807)Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)cc2c(=O)[nH]1 Show InChI InChI=1S/C45H52N8O18/c1-3-20-53(22-24-4-9-28-27(21-24)40(61)47-23(2)46-28)26-7-5-25(6-8-26)39(60)52-33(45(70)71)13-18-37(57)50-31(43(66)67)11-16-35(55)48-29(41(62)63)10-15-34(54)49-30(42(64)65)12-17-36(56)51-32(44(68)69)14-19-38(58)59/h1,4-9,21,29-33H,10-20,22H2,2H3,(H,48,55)(H,49,54)(H,50,57)(H,51,56)(H,52,60)(H,58,59)(H,62,63)(H,64,65)(H,66,67)(H,68,69)(H,70,71)(H,46,47,61)/t29-,30-,31-,32-,33-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of thymidylate synthase, partially purified from L1210 mouse leukemia cells overexpressing TS |
J Med Chem 35: 859-66 (1992)
BindingDB Entry DOI: 10.7270/Q2G44RG7 |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50406717
(CHEMBL1202137)Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C35H38N6O12/c1-3-16-41(18-20-4-9-24-23(17-20)32(47)37-19(2)36-24)22-7-5-21(6-8-22)31(46)40-27(35(52)53)11-14-29(43)38-25(33(48)49)10-13-28(42)39-26(34(50)51)12-15-30(44)45/h1,4-9,17,25-27H,10-16,18H2,2H3,(H,38,43)(H,39,42)(H,40,46)(H,44,45)(H,48,49)(H,50,51)(H,52,53)(H,36,37,47)/t25-,26-,27-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of thymidylate synthase, partially purified from L1210 mouse leukemia cells overexpressing TS |
J Med Chem 35: 859-66 (1992)
BindingDB Entry DOI: 10.7270/Q2G44RG7 |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50088161
(2-(4-Carboxy-4-{4-[(2-methyl-4-oxo-4,6,7,8-tetrahy...)Show SMILES Cc1nc2cc3CCC(N(CC#C)c4ccc(cc4)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(O)=O)C(O)=O)C(O)=O)c3cc2c(=O)[nH]1 Show InChI InChI=1S/C32H33N5O9/c1-3-14-37(26-11-6-19-15-25-22(16-21(19)26)30(42)34-17(2)33-25)20-7-4-18(5-8-20)29(41)36-24(32(45)46)9-12-27(38)35-23(31(43)44)10-13-28(39)40/h1,4-5,7-8,15-16,23-24,26H,6,9-14H2,2H3,(H,35,38)(H,36,41)(H,39,40)(H,43,44)(H,45,46)(H,33,34,42)/t23-,24+,26?/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Patents
Similars
| PubMed
| 0.420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Binding affinity against thymidylate synthase from L1210 mouse leukemia cells |
J Med Chem 43: 1910-26 (2000)
BindingDB Entry DOI: 10.7270/Q2KP81DM |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50088161
(2-(4-Carboxy-4-{4-[(2-methyl-4-oxo-4,6,7,8-tetrahy...)Show SMILES Cc1nc2cc3CCC(N(CC#C)c4ccc(cc4)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(O)=O)C(O)=O)C(O)=O)c3cc2c(=O)[nH]1 Show InChI InChI=1S/C32H33N5O9/c1-3-14-37(26-11-6-19-15-25-22(16-21(19)26)30(42)34-17(2)33-25)20-7-4-18(5-8-20)29(41)36-24(32(45)46)9-12-27(38)35-23(31(43)44)10-13-28(39)40/h1,4-5,7-8,15-16,23-24,26H,6,9-14H2,2H3,(H,35,38)(H,36,41)(H,39,40)(H,43,44)(H,45,46)(H,33,34,42)/t23-,24+,26?/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Patents
Similars
| PubMed
| 0.420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description Tested for inhibitory activity against thymidylate synthase of L1210 cells |
Bioorg Med Chem Lett 11: 3015-7 (2001)
BindingDB Entry DOI: 10.7270/Q2NK3G7F |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50406721
(CHEMBL171226)Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)c(F)c3)cc2c(=O)[nH]1 Show InChI InChI=1S/C30H30FN5O9/c1-3-12-36(15-17-4-7-22-20(13-17)28(41)33-16(2)32-22)18-5-6-19(21(31)14-18)27(40)35-24(30(44)45)8-10-25(37)34-23(29(42)43)9-11-26(38)39/h1,4-7,13-14,23-24H,8-12,15H2,2H3,(H,34,37)(H,35,40)(H,38,39)(H,42,43)(H,44,45)(H,32,33,41)/t23-,24-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| PubMed
| 0.590 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of thymidylate synthase, partially purified from L1210 mouse leukemia cells overexpressing TS |
J Med Chem 35: 859-66 (1992)
BindingDB Entry DOI: 10.7270/Q2G44RG7 |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50406716
(CHEMBL1202138)Show SMILES OC(=O)CC[C@H](NC(=O)CC[C@H](NC(=O)CC[C@H](NC(=O)CC[C@H](NC(=O)c1ccc(cc1)N(CC#C)Cc1ccc2nc[nH]c(=O)c2c1)C(O)=O)C(O)=O)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C39H43N7O15/c1-2-17-46(19-21-3-8-25-24(18-21)35(53)41-20-40-25)23-6-4-22(5-7-23)34(52)45-29(39(60)61)11-15-32(49)43-27(37(56)57)9-13-30(47)42-26(36(54)55)10-14-31(48)44-28(38(58)59)12-16-33(50)51/h1,3-8,18,20,26-29H,9-17,19H2,(H,42,47)(H,43,49)(H,44,48)(H,45,52)(H,50,51)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,40,41,53)/t26-,27-,28-,29-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| PubMed
| 0.630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of thymidylate synthase, partially purified from L1210 mouse leukemia cells overexpressing TS |
J Med Chem 35: 859-66 (1992)
BindingDB Entry DOI: 10.7270/Q2G44RG7 |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50403877
(CHEMBL103105)Show SMILES Cc1nc2cc3CC[C@H](N(CC#C)c4ccc(cc4)C(=O)N[C@@H](CCCS(=O)(=O)c4nnc[nH]4)C(O)=O)c3cc2c(=O)[nH]1 Show InChI InChI=1S/C29H29N7O6S/c1-3-12-36(25-11-8-19-14-24-22(15-21(19)25)27(38)33-17(2)32-24)20-9-6-18(7-10-20)26(37)34-23(28(39)40)5-4-13-43(41,42)29-30-16-31-35-29/h1,6-7,9-10,14-16,23,25H,4-5,8,11-13H2,2H3,(H,34,37)(H,39,40)(H,30,31,35)(H,32,33,38)/t23-,25-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.710 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description Tested for inhibitory activity against thymidylate synthase of L1210 cells |
Bioorg Med Chem Lett 11: 3015-7 (2001)
BindingDB Entry DOI: 10.7270/Q2NK3G7F |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50088164
((S)-2-{4-[(2-Methyl-4-oxo-4,6,7,8-tetrahydro-3H-cy...)Show SMILES Cc1nc2cc3CCC(N(CC#C)c4ccc(cc4)C(=O)N[C@@H](CCCS(=O)(=O)c4nnc[nH]4)C(O)=O)c3cc2c(=O)[nH]1 Show InChI InChI=1S/C29H29N7O6S/c1-3-12-36(25-11-8-19-14-24-22(15-21(19)25)27(38)33-17(2)32-24)20-9-6-18(7-10-20)26(37)34-23(28(39)40)5-4-13-43(41,42)29-30-16-31-35-29/h1,6-7,9-10,14-16,23,25H,4-5,8,11-13H2,2H3,(H,34,37)(H,39,40)(H,30,31,35)(H,32,33,38)/t23-,25?/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.780 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description Tested for inhibitory activity against thymidylate synthase of L1210 cells |
Bioorg Med Chem Lett 11: 3015-7 (2001)
BindingDB Entry DOI: 10.7270/Q2NK3G7F |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50408876
(CHEMBL434602)Show SMILES CN([C@H](CCC(O)=O)C(O)=O)C(=O)CC[C@H](NC(=O)c1ccc(cc1)N(CC#C)C1CCc2cc3nc(C)[nH]c(=O)c3cc12)C(O)=O Show InChI InChI=1S/C33H35N5O9/c1-4-15-38(26-11-7-20-16-25-23(17-22(20)26)31(43)35-18(2)34-25)21-8-5-19(6-9-21)30(42)36-24(32(44)45)10-13-28(39)37(3)27(33(46)47)12-14-29(40)41/h1,5-6,8-9,16-17,24,26-27H,7,10-15H2,2-3H3,(H,36,42)(H,40,41)(H,44,45)(H,46,47)(H,34,35,43)/t24-,26?,27+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.780 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Binding affinity against thymidylate synthase from L1210 mouse leukemia cells |
J Med Chem 43: 1910-26 (2000)
BindingDB Entry DOI: 10.7270/Q2KP81DM |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50088164
((S)-2-{4-[(2-Methyl-4-oxo-4,6,7,8-tetrahydro-3H-cy...)Show SMILES Cc1nc2cc3CCC(N(CC#C)c4ccc(cc4)C(=O)N[C@@H](CCCS(=O)(=O)c4nnc[nH]4)C(O)=O)c3cc2c(=O)[nH]1 Show InChI InChI=1S/C29H29N7O6S/c1-3-12-36(25-11-8-19-14-24-22(15-21(19)25)27(38)33-17(2)32-24)20-9-6-18(7-10-20)26(37)34-23(28(39)40)5-4-13-43(41,42)29-30-16-31-35-29/h1,6-7,9-10,14-16,23,25H,4-5,8,11-13H2,2H3,(H,34,37)(H,39,40)(H,30,31,35)(H,32,33,38)/t23-,25?/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.780 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Binding affinity against thymidylate synthase from L1210 mouse leukemia cells |
J Med Chem 43: 1910-26 (2000)
BindingDB Entry DOI: 10.7270/Q2KP81DM |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50049159
((R)-2-((S)-4-Carboxy-4-{4-[(2,7-dimethyl-4-oxo-3,4...)Show SMILES Cc1nc2cc(C)c(CN(CC#C)c3ccc(C(=O)N[C@@H](CCC(=O)N[C@H](CCC(O)=O)C(O)=O)C(O)=O)c(F)c3)cc2c(=O)[nH]1 Show InChI InChI=1S/C31H32FN5O9/c1-4-11-37(15-18-13-21-25(12-16(18)2)33-17(3)34-29(21)42)19-5-6-20(22(32)14-19)28(41)36-24(31(45)46)7-9-26(38)35-23(30(43)44)8-10-27(39)40/h1,5-6,12-14,23-24H,7-11,15H2,2-3H3,(H,35,38)(H,36,41)(H,39,40)(H,43,44)(H,45,46)(H,33,34,42)/t23-,24+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 0.920 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Binding affinity of the compound against L1210 Thymidylate synthase. |
J Med Chem 39: 73-85 (1996)
Article DOI: 10.1021/jm950471+ BindingDB Entry DOI: 10.7270/Q2WH2P2S |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50406718
(CHEMBL1202140)Show SMILES OC(=O)CC[C@H](NC(=O)CC[C@H](NC(=O)CC[C@H](NC(=O)c1ccc(cc1)N(CC#C)Cc1ccc2nc[nH]c(=O)c2c1)C(O)=O)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C34H36N6O12/c1-2-15-40(17-19-3-8-23-22(16-19)31(46)36-18-35-23)21-6-4-20(5-7-21)30(45)39-26(34(51)52)10-13-28(42)37-24(32(47)48)9-12-27(41)38-25(33(49)50)11-14-29(43)44/h1,3-8,16,18,24-26H,9-15,17H2,(H,37,42)(H,38,41)(H,39,45)(H,43,44)(H,47,48)(H,49,50)(H,51,52)(H,35,36,46)/t24-,25-,26-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| PubMed
| 0.970 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of thymidylate synthase, partially purified from L1210 mouse leukemia cells overexpressing TS |
J Med Chem 35: 859-66 (1992)
BindingDB Entry DOI: 10.7270/Q2G44RG7 |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50406719
(CHEMBL436448)Show SMILES Cc1cc(Cl)c2cc(CN(CC#C)c3ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)c(F)c3)ccc2n1 Show InChI InChI=1S/C36H37ClFN5O11/c1-3-14-43(18-20-4-7-26-23(16-20)24(37)15-19(2)39-26)21-5-6-22(25(38)17-21)33(48)42-29(36(53)54)9-12-31(45)40-27(34(49)50)8-11-30(44)41-28(35(51)52)10-13-32(46)47/h1,4-7,15-17,27-29H,8-14,18H2,2H3,(H,40,45)(H,41,44)(H,42,48)(H,46,47)(H,49,50)(H,51,52)(H,53,54)/t27-,28-,29-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of thymidylate synthase, partially purified from L1210 mouse leukemia cells overexpressing TS |
J Med Chem 35: 859-66 (1992)
BindingDB Entry DOI: 10.7270/Q2G44RG7 |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50408122
(CHEMBL37106)Show SMILES CN([C@@H](CCC(O)=O)C(O)=O)C(=O)[C@H](CCC(O)=O)NC(=O)c1ccc(cc1F)N(CC#C)Cc1cc2c(cc1C)nc(C)[nH]c2=O Show InChI InChI=1S/C32H34FN5O9/c1-5-12-38(16-19-14-22-25(13-17(19)2)34-18(3)35-30(22)44)20-6-7-21(23(33)15-20)29(43)36-24(8-10-27(39)40)31(45)37(4)26(32(46)47)9-11-28(41)42/h1,6-7,13-15,24,26H,8-12,16H2,2-4H3,(H,36,43)(H,39,40)(H,41,42)(H,46,47)(H,34,35,44)/t24-,26-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of Thymidylate Synthase(TS) from mouse L1210 cells |
J Med Chem 40: 1495-510 (1997)
Article DOI: 10.1021/jm960878u BindingDB Entry DOI: 10.7270/Q2862HP3 |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50408872
(CHEMBL58548)Show SMILES C[C@@H](NC(=O)CC[C@H](NC(=O)c1ccc(cc1)N(CC#C)C1CCc2cc3nc(C)[nH]c(=O)c3cc12)C(O)=O)C(O)=O Show InChI InChI=1S/C30H31N5O7/c1-4-13-35(25-11-7-19-14-24-22(15-21(19)25)28(38)33-17(3)32-24)20-8-5-18(6-9-20)27(37)34-23(30(41)42)10-12-26(36)31-16(2)29(39)40/h1,5-6,8-9,14-16,23,25H,7,10-13H2,2-3H3,(H,31,36)(H,34,37)(H,39,40)(H,41,42)(H,32,33,38)/t16-,23+,25?/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Binding affinity against thymidylate synthase from L1210 mouse leukemia cells |
J Med Chem 43: 1910-26 (2000)
BindingDB Entry DOI: 10.7270/Q2KP81DM |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50049164
((S)-2-((S)-4-Carboxy-4-{4-[(2-methyl-4-oxo-3,4-dih...)Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)cc2c(=O)[nH]1 Show InChI InChI=1S/C30H31N5O9/c1-3-14-35(16-18-4-9-22-21(15-18)28(40)32-17(2)31-22)20-7-5-19(6-8-20)27(39)34-24(30(43)44)10-12-25(36)33-23(29(41)42)11-13-26(37)38/h1,4-9,15,23-24H,10-14,16H2,2H3,(H,33,36)(H,34,39)(H,37,38)(H,41,42)(H,43,44)(H,31,32,40)/t23-,24-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of thymidylate synthase, partially purified from L1210 mouse leukemia cells overexpressing TS |
J Med Chem 35: 859-66 (1992)
BindingDB Entry DOI: 10.7270/Q2G44RG7 |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50408871
(CHEMBL60700)Show SMILES Cc1nc2cc3CCC(N(CC#C)c4ccc(cc4)C(=O)N[C@@H](CCc4nnn(CC(O)=O)n4)C(O)=O)c3cc2c(=O)[nH]1 Show InChI InChI=1S/C29H28N8O6/c1-3-12-36(24-10-6-18-13-23-21(14-20(18)24)28(41)31-16(2)30-23)19-7-4-17(5-8-19)27(40)32-22(29(42)43)9-11-25-33-35-37(34-25)15-26(38)39/h1,4-5,7-8,13-14,22,24H,6,9-12,15H2,2H3,(H,32,40)(H,38,39)(H,42,43)(H,30,31,41)/t22-,24?/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Binding affinity against thymidylate synthase from L1210 mouse leukemia cells |
J Med Chem 43: 1910-26 (2000)
BindingDB Entry DOI: 10.7270/Q2KP81DM |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50408135
(CHEMBL288666)Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 Show InChI InChI=1S/C30H31N5O9/c1-3-14-35(16-18-4-9-22-21(15-18)28(41)32-17(2)31-22)20-7-5-19(6-8-20)27(40)33-23(10-12-25(36)37)29(42)34-24(30(43)44)11-13-26(38)39/h1,4-9,15,23-24H,10-14,16H2,2H3,(H,33,40)(H,34,42)(H,36,37)(H,38,39)(H,43,44)(H,31,32,41)/t23-,24-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of Thymidylate Synthase(TS) from mouse L1210 cells |
J Med Chem 40: 1495-510 (1997)
Article DOI: 10.1021/jm960878u BindingDB Entry DOI: 10.7270/Q2862HP3 |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50408877
(CHEMBL412127)Show SMILES Cc1nc2cc3CCC(N(CC#C)c4ccc(cc4)C(=O)N[C@@H](CCc4nnnn4CCCC(O)=O)C(O)=O)c3cc2c(=O)[nH]1 Show InChI InChI=1S/C31H32N8O6/c1-3-14-38(26-12-8-20-16-25-23(17-22(20)26)30(43)33-18(2)32-25)21-9-6-19(7-10-21)29(42)34-24(31(44)45)11-13-27-35-36-37-39(27)15-4-5-28(40)41/h1,6-7,9-10,16-17,24,26H,4-5,8,11-15H2,2H3,(H,34,42)(H,40,41)(H,44,45)(H,32,33,43)/t24-,26?/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Compound was tested for the binding affinity against thymidylate synthase from L1210 mouse leukemia cells; value given as 0.9, 2.0 |
J Med Chem 43: 1910-26 (2000)
BindingDB Entry DOI: 10.7270/Q2KP81DM |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50049170
((R)-2-((S)-4-Carboxy-4-{4-[(2,7-dimethyl-4-oxo-3,4...)Show SMILES Cc1nc2cc(C)c(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(O)=O)C(O)=O)C(O)=O)cc2c(=O)[nH]1 Show InChI InChI=1S/C31H33N5O9/c1-4-13-36(16-20-15-22-25(14-17(20)2)32-18(3)33-29(22)41)21-7-5-19(6-8-21)28(40)35-24(31(44)45)9-11-26(37)34-23(30(42)43)10-12-27(38)39/h1,5-8,14-15,23-24H,9-13,16H2,2-3H3,(H,34,37)(H,35,40)(H,38,39)(H,42,43)(H,44,45)(H,32,33,41)/t23-,24+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Binding affinity against thymidylate synthase from L1210 mouse leukemia cells |
J Med Chem 43: 1910-26 (2000)
BindingDB Entry DOI: 10.7270/Q2KP81DM |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50403878
(CHEMBL320651)Show SMILES Cc1nc2cc3CC[C@@H](N(CC#C)c4ccc(cc4)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(O)=O)c4nnn[nH]4)C(O)=O)c3cc2c(=O)[nH]1 Show InChI InChI=1S/C32H33N9O7/c1-3-14-41(26-11-6-19-15-25-22(16-21(19)26)31(46)34-17(2)33-25)20-7-4-18(5-8-20)30(45)36-24(32(47)48)9-12-27(42)35-23(10-13-28(43)44)29-37-39-40-38-29/h1,4-5,7-8,15-16,23-24,26H,6,9-14H2,2H3,(H,35,42)(H,36,45)(H,43,44)(H,47,48)(H,33,34,46)(H,37,38,39,40)/t23-,24+,26-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description Tested for inhibitory activity against thymidylate synthase of L1210 cells |
Bioorg Med Chem Lett 11: 3015-7 (2001)
BindingDB Entry DOI: 10.7270/Q2NK3G7F |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50408874
(CHEMBL299062)Show SMILES C[C@@H](NC(=O)Cn1nnnc1CC[C@H](NC(=O)c1ccc(cc1)N(CC#C)C1CCc2cc3nc(C)[nH]c(=O)c3cc12)C(O)=O)C(O)=O Show InChI InChI=1S/C32H33N9O7/c1-4-13-40(26-11-7-20-14-25-23(15-22(20)26)30(44)35-18(3)34-25)21-8-5-19(6-9-21)29(43)36-24(32(47)48)10-12-27-37-38-39-41(27)16-28(42)33-17(2)31(45)46/h1,5-6,8-9,14-15,17,24,26H,7,10-13,16H2,2-3H3,(H,33,42)(H,36,43)(H,45,46)(H,47,48)(H,34,35,44)/t17-,24+,26?/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Binding affinity against thymidylate synthase from L1210 mouse leukemia cells |
J Med Chem 43: 1910-26 (2000)
BindingDB Entry DOI: 10.7270/Q2KP81DM |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50088157
(2-{4-[(2-Methyl-4-oxo-4,6,7,8-tetrahydro-3H-cyclop...)Show SMILES C[C@@H](NC(=O)CC[C@H](NC(=O)c1ccc(cc1)N(CC#C)C1CCc2cc3nc(C)[nH]c(=O)c3cc12)C(O)=O)c1nnn[nH]1 Show InChI InChI=1S/C30H31N9O5/c1-4-13-39(25-11-7-19-14-24-22(15-21(19)25)29(42)33-17(3)32-24)20-8-5-18(6-9-20)28(41)34-23(30(43)44)10-12-26(40)31-16(2)27-35-37-38-36-27/h1,5-6,8-9,14-16,23,25H,7,10-13H2,2-3H3,(H,31,40)(H,34,41)(H,43,44)(H,32,33,42)(H,35,36,37,38)/t16-,23+,25?/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Binding affinity against thymidylate synthase from L1210 mouse leukemia cells |
J Med Chem 43: 1910-26 (2000)
BindingDB Entry DOI: 10.7270/Q2KP81DM |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50088169
(4-(2-Benzenesulfonylamino-1-methyl-2-oxo-ethylcarb...)Show SMILES C[C@@H](NC(=O)CC[C@H](NC(=O)c1ccc(cc1)N(CC#C)C1CCc2cc3nc(C)[nH]c(=O)c3cc12)C(O)=O)C(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C36H36N6O8S/c1-4-18-42(31-16-12-24-19-30-28(20-27(24)31)35(46)39-22(3)38-30)25-13-10-23(11-14-25)34(45)40-29(36(47)48)15-17-32(43)37-21(2)33(44)41-51(49,50)26-8-6-5-7-9-26/h1,5-11,13-14,19-21,29,31H,12,15-18H2,2-3H3,(H,37,43)(H,40,45)(H,41,44)(H,47,48)(H,38,39,46)/t21-,29+,31?/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Binding affinity against thymidylate synthase from L1210 mouse leukemia cells |
J Med Chem 43: 1910-26 (2000)
BindingDB Entry DOI: 10.7270/Q2KP81DM |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50408873
(CHEMBL292920)Show SMILES Cc1nc2cc3CCC(N(CC#C)c4ccc(cc4)C(=O)N[C@@H](CCc4nnnn4CC(O)=O)C(O)=O)c3cc2c(=O)[nH]1 Show InChI InChI=1S/C29H28N8O6/c1-3-12-36(24-10-6-18-13-23-21(14-20(18)24)28(41)31-16(2)30-23)19-7-4-17(5-8-19)27(40)32-22(29(42)43)9-11-25-33-34-35-37(25)15-26(38)39/h1,4-5,7-8,13-14,22,24H,6,9-12,15H2,2H3,(H,32,40)(H,38,39)(H,42,43)(H,30,31,41)/t22-,24?/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Compound was tested for the binding affinity against thymidylate synthase from L1210 mouse leukemia cells; value given as 2.4,1.8 |
J Med Chem 43: 1910-26 (2000)
BindingDB Entry DOI: 10.7270/Q2KP81DM |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50423452
(CHEMBL401166)Show SMILES O[C@H]1C[C@@H](O[C@@H]1OP(O)(O)=O)n1cc([N+]([O-])=O)c(=O)[nH]c1=O Show InChI InChI=1S/C8H10N3O10P/c12-4-1-5(20-7(4)21-22(17,18)19)10-2-3(11(15)16)6(13)9-8(10)14/h2,4-5,7,12H,1H2,(H,9,13,14)(H2,17,18,19)/t4-,5+,7+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Polish Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of mouse thymidylate synthase in mouse L1210 cells |
Bioorg Med Chem 15: 2346-58 (2007)
Article DOI: 10.1016/j.bmc.2007.01.021 BindingDB Entry DOI: 10.7270/Q21G0NK7 |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50408875
(CHEMBL57549)Show SMILES CCC[C@@H](NC(=O)CC[C@H](NC(=O)c1ccc(cc1)N(CC#C)C1CCc2cc3nc(C)[nH]c(=O)c3cc12)C(O)=O)c1nnn[nH]1 Show InChI InChI=1S/C32H35N9O5/c1-4-6-24(29-37-39-40-38-29)35-28(42)14-12-25(32(45)46)36-30(43)19-7-10-21(11-8-19)41(15-5-2)27-13-9-20-16-26-23(17-22(20)27)31(44)34-18(3)33-26/h2,7-8,10-11,16-17,24-25,27H,4,6,9,12-15H2,1,3H3,(H,35,42)(H,36,43)(H,45,46)(H,33,34,44)(H,37,38,39,40)/t24-,25+,27?/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Binding affinity against thymidylate synthase from L1210 mouse leukemia cells |
J Med Chem 43: 1910-26 (2000)
BindingDB Entry DOI: 10.7270/Q2KP81DM |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50408136
(CHEMBL291084)Show SMILES CN([C@@H](CCC(O)=O)C(O)=O)C(=O)[C@H](CCC(O)=O)NC(=O)c1ccc(cc1)N(CC#C)Cc1cc2c(cc1C)nc(C)[nH]c2=O Show InChI InChI=1S/C32H35N5O9/c1-5-14-37(17-21-16-23-25(15-18(21)2)33-19(3)34-30(23)43)22-8-6-20(7-9-22)29(42)35-24(10-12-27(38)39)31(44)36(4)26(32(45)46)11-13-28(40)41/h1,6-9,15-16,24,26H,10-14,17H2,2-4H3,(H,35,42)(H,38,39)(H,40,41)(H,45,46)(H,33,34,43)/t24-,26-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of Thymidylate Synthase(TS) from mouse L1210 cells |
J Med Chem 40: 1495-510 (1997)
Article DOI: 10.1021/jm960878u BindingDB Entry DOI: 10.7270/Q2862HP3 |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50408129
(CHEMBL289749)Show SMILES CN(Cc1cc2c(cc1C)nc(C)[nH]c2=O)c1ccc(C(=O)N[C@@H](CCC(O)=O)C(=O)N(C)[C@@H](CCC(O)=O)C(O)=O)c(F)c1 Show InChI InChI=1S/C30H34FN5O9/c1-15-11-23-20(28(42)33-16(2)32-23)12-17(15)14-35(3)18-5-6-19(21(31)13-18)27(41)34-22(7-9-25(37)38)29(43)36(4)24(30(44)45)8-10-26(39)40/h5-6,11-13,22,24H,7-10,14H2,1-4H3,(H,34,41)(H,37,38)(H,39,40)(H,44,45)(H,32,33,42)/t22-,24-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of Thymidylate Synthase(TS) from mouse L1210 cells |
J Med Chem 40: 1495-510 (1997)
Article DOI: 10.1021/jm960878u BindingDB Entry DOI: 10.7270/Q2862HP3 |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50028408
((R)-2-{4-[(2-Amino-4-oxo-1,4-dihydro-quinazolin-6-...)Show SMILES Nc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)N[C@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 Show InChI InChI=1S/C24H23N5O6/c1-2-11-29(13-14-3-8-18-17(12-14)22(33)28-24(25)27-18)16-6-4-15(5-7-16)21(32)26-19(23(34)35)9-10-20(30)31/h1,3-8,12,19H,9-11,13H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33)/t19-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL KEGG MMDB PC cid PC sid UniChem
Similars
| PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Tested for binding affinity against thymidylate synthase(TS) |
J Med Chem 37: 3294-302 (1994)
BindingDB Entry DOI: 10.7270/Q2QV3N50 |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM18771
((2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-...)Show SMILES Nc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C24H23N5O6/c1-2-11-29(13-14-3-8-18-17(12-14)22(33)28-24(25)27-18)16-6-4-15(5-7-16)21(32)26-19(23(34)35)9-10-20(30)31/h1,3-8,12,19H,9-11,13H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33)/t19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ICI Pharmaceuticals Mereside
Curated by ChEMBL
| Assay Description Binding affinity against Thymidylate synthase was measured in vitro |
J Med Chem 33: 3060-7 (1990)
BindingDB Entry DOI: 10.7270/Q2ZW1JWX |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50403880
(CHEMBL317717)Show SMILES Cc1nc2cc3CC[C@@H](N(CC#C)c4ccc(cc4)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(O)=O)C(O)=O)C(O)=O)c3cc2c(=O)[nH]1 Show InChI InChI=1S/C32H33N5O9/c1-3-14-37(26-11-6-19-15-25-22(16-21(19)26)30(42)34-17(2)33-25)20-7-4-18(5-8-20)29(41)36-24(32(45)46)9-12-27(38)35-23(31(43)44)10-13-28(39)40/h1,4-5,7-8,15-16,23-24,26H,6,9-14H2,2H3,(H,35,38)(H,36,41)(H,39,40)(H,43,44)(H,45,46)(H,33,34,42)/t23-,24+,26-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description Tested for inhibitory activity against thymidylate synthase of L1210 cells |
Bioorg Med Chem Lett 11: 3015-7 (2001)
BindingDB Entry DOI: 10.7270/Q2NK3G7F |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50406711
(CHEMBL405513)Show SMILES CN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(s1)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O Show InChI InChI=1S/C46H57N9O21S/c1-21-47-24-4-3-22(19-23(24)39(63)48-21)20-55(2)37-17-11-31(77-37)40(64)54-30(46(75)76)9-16-36(60)52-28(44(71)72)7-14-34(58)50-26(42(67)68)5-12-32(56)49-25(41(65)66)6-13-33(57)51-27(43(69)70)8-15-35(59)53-29(45(73)74)10-18-38(61)62/h3-4,11,17,19,25-30H,5-10,12-16,18,20H2,1-2H3,(H,49,56)(H,50,58)(H,51,57)(H,52,60)(H,53,59)(H,54,64)(H,61,62)(H,65,66)(H,67,68)(H,69,70)(H,71,72)(H,73,74)(H,75,76)(H,47,48,63)/t25-,26-,27-,28-,29-,30-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of thymidylate synthase, partially purified from L1210 mouse leukemia cells overexpressing TS |
J Med Chem 35: 859-66 (1992)
BindingDB Entry DOI: 10.7270/Q2G44RG7 |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50406712
(CHEMBL268593)Show SMILES CN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(s1)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O Show InChI InChI=1S/C41H50N8O18S/c1-19-42-22-4-3-20(17-21(22)35(56)43-19)18-49(2)33-15-10-28(68-33)36(57)48-27(41(66)67)8-14-32(53)46-25(39(62)63)6-12-30(51)44-23(37(58)59)5-11-29(50)45-24(38(60)61)7-13-31(52)47-26(40(64)65)9-16-34(54)55/h3-4,10,15,17,23-27H,5-9,11-14,16,18H2,1-2H3,(H,44,51)(H,45,50)(H,46,53)(H,47,52)(H,48,57)(H,54,55)(H,58,59)(H,60,61)(H,62,63)(H,64,65)(H,66,67)(H,42,43,56)/t23-,24-,25-,26-,27-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of thymidylate synthase, partially purified from L1210 mouse leukemia cells overexpressing TS |
J Med Chem 35: 859-66 (1992)
BindingDB Entry DOI: 10.7270/Q2G44RG7 |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50408127
(CHEMBL264609)Show SMILES CN([C@@H](CCC(O)=O)C(O)=O)C(=O)[C@H](CCC(O)=O)NC(=O)c1ccc(cc1F)N(CC#C)Cc1ccc2nc(C)[nH]c(=O)c2c1 Show InChI InChI=1S/C31H32FN5O9/c1-4-13-37(16-18-5-8-23-21(14-18)29(43)34-17(2)33-23)19-6-7-20(22(32)15-19)28(42)35-24(9-11-26(38)39)30(44)36(3)25(31(45)46)10-12-27(40)41/h1,5-8,14-15,24-25H,9-13,16H2,2-3H3,(H,35,42)(H,38,39)(H,40,41)(H,45,46)(H,33,34,43)/t24-,25-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of Thymidylate Synthase(TS) from mouse L1210 cells |
J Med Chem 40: 1495-510 (1997)
Article DOI: 10.1021/jm960878u BindingDB Entry DOI: 10.7270/Q2862HP3 |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50008294
(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)Show SMILES Nc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 Show InChI InChI=1S/C24H23N5O6/c1-2-11-29(13-14-3-8-18-17(12-14)22(33)28-24(25)27-18)16-6-4-15(5-7-16)21(32)26-19(23(34)35)9-10-20(30)31/h1,3-8,12,19H,9-11,13H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity was evaluated against thymidylate synthase |
J Med Chem 28: 1468-76 (1985)
BindingDB Entry DOI: 10.7270/Q2348JDZ |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50406720
(CHEMBL172160)Show SMILES CN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(s1)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O Show InChI InChI=1S/C36H43N7O15S/c1-17-37-20-4-3-18(15-19(20)31(49)38-17)16-43(2)29-13-9-25(59-29)32(50)42-24(36(57)58)7-12-28(46)40-22(34(53)54)5-10-26(44)39-21(33(51)52)6-11-27(45)41-23(35(55)56)8-14-30(47)48/h3-4,9,13,15,21-24H,5-8,10-12,14,16H2,1-2H3,(H,39,44)(H,40,46)(H,41,45)(H,42,50)(H,47,48)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,37,38,49)/t21-,22-,23-,24-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of thymidylate synthase, partially purified from L1210 mouse leukemia cells overexpressing TS |
J Med Chem 35: 859-66 (1992)
BindingDB Entry DOI: 10.7270/Q2G44RG7 |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50406715
(CHEMBL355321)Show SMILES CN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(s1)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O Show InChI InChI=1S/C31H36N6O12S/c1-15-32-18-4-3-16(13-17(18)27(42)33-15)14-37(2)25-11-8-22(50-25)28(43)36-21(31(48)49)6-10-24(39)34-19(29(44)45)5-9-23(38)35-20(30(46)47)7-12-26(40)41/h3-4,8,11,13,19-21H,5-7,9-10,12,14H2,1-2H3,(H,34,39)(H,35,38)(H,36,43)(H,40,41)(H,44,45)(H,46,47)(H,48,49)(H,32,33,42)/t19-,20-,21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| PubMed
| 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of thymidylate synthase, partially purified from L1210 mouse leukemia cells overexpressing TS |
J Med Chem 35: 859-66 (1992)
BindingDB Entry DOI: 10.7270/Q2G44RG7 |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50423448
(CHEMBL254204)Show SMILES CCCc1cn([C@H]2C[C@H](O)[C@@H](OP(O)(O)=O)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C11H17N2O8P/c1-2-3-6-5-13(11(16)12-9(6)15)8-4-7(14)10(20-8)21-22(17,18)19/h5,7-8,10,14H,2-4H2,1H3,(H,12,15,16)(H2,17,18,19)/t7-,8+,10+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Polish Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of mouse thymidylate synthase in mouse L1210 cells |
Bioorg Med Chem 15: 2346-58 (2007)
Article DOI: 10.1016/j.bmc.2007.01.021 BindingDB Entry DOI: 10.7270/Q21G0NK7 |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50408123
(CHEMBL36433)Show SMILES CN(Cc1cc2c(cc1C)nc(C)[nH]c2=O)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N(C)[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C30H35N5O9/c1-16-13-23-21(28(41)32-17(2)31-23)14-19(16)15-34(3)20-7-5-18(6-8-20)27(40)33-22(9-11-25(36)37)29(42)35(4)24(30(43)44)10-12-26(38)39/h5-8,13-14,22,24H,9-12,15H2,1-4H3,(H,33,40)(H,36,37)(H,38,39)(H,43,44)(H,31,32,41)/t22-,24-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of Thymidylate Synthase(TS) from mouse L1210 cells |
J Med Chem 40: 1495-510 (1997)
Article DOI: 10.1021/jm960878u BindingDB Entry DOI: 10.7270/Q2862HP3 |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50408126
(CHEMBL36721)Show SMILES CC(C[C@H](NC(=O)c1ccc(cc1)N(CC#C)Cc1ccc2nc(C)[nH]c(=O)c2c1)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O Show InChI InChI=1S/C31H33N5O9/c1-4-13-36(16-19-5-10-23-22(15-19)28(40)33-18(3)32-23)21-8-6-20(7-9-21)27(39)35-25(14-17(2)30(42)43)29(41)34-24(31(44)45)11-12-26(37)38/h1,5-10,15,17,24-25H,11-14,16H2,2-3H3,(H,34,41)(H,35,39)(H,37,38)(H,42,43)(H,44,45)(H,32,33,40)/t17?,24-,25-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of Thymidylate Synthase(TS) from mouse L1210 cells |
J Med Chem 40: 1495-510 (1997)
Article DOI: 10.1021/jm960878u BindingDB Entry DOI: 10.7270/Q2862HP3 |
More data for this Ligand-Target Pair | |