Found 48 hits Enz. Inhib. hit(s) with Target = 'C-1-tetrahydrofolate synthase, cytoplasmic' 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 |
|---|
C-1-tetrahydrofolate synthase, cytoplasmic
(Homo sapiens (Human)) | BDBM50028981
(2-{4-[2-(2-amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahy...)Show SMILES CN1C(CCNc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNc2nc(N)[nH]c(=O)c12 |r| Show InChI InChI=1S/C21H27N7O6/c1-28-13(10-24-17-16(28)19(32)27-21(22)26-17)8-9-23-12-4-2-11(3-5-12)18(31)25-14(20(33)34)6-7-15(29)30/h2-5,13-14,23H,6-10H2,1H3,(H,25,31)(H,29,30)(H,33,34)(H4,22,24,26,27,32)/t13?,14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for in vitro inhibition of 5,10-Methylene Tetrahydrofolate Cyclohydrolase ,competitive against (+)-L-5,10-methenyltetrahydrofolat... |
J Med Chem 24: 1086-8 (1981)
BindingDB Entry DOI: 10.7270/Q2JS9PGG |
More data for this
Ligand-Target Pair | |
C-1-tetrahydrofolate synthase, cytoplasmic
(Homo sapiens (Human)) | BDBM50535669
(CHEMBL1233930)Show SMILES Nc1nc(O)c2N3[C@@H](CN(C3=O)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNc2n1 |r| Show InChI InChI=1S/C20H21N7O7/c21-19-24-15-14(17(31)25-19)27-11(7-22-15)8-26(20(27)34)10-3-1-9(2-4-10)16(30)23-12(18(32)33)5-6-13(28)29/h1-4,11-12H,5-8H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)/t11-,12+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human MTHFD1 ( 1 to 306 residues) expressed in Escherichia coli BL21 (DE3) pre-incubated for 10 mins before folitixorin and ... |
ACS Med Chem Lett 10: 893-898 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00069
BindingDB Entry DOI: 10.7270/Q2J67MFK |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
C-1-tetrahydrofolate synthase, cytoplasmic
(Homo sapiens (Human)) | BDBM50509364
(CHEMBL4463968)Show SMILES C[C@H]1CN(CCN1C)c1ccc2c3CCN(Cc3c(=O)oc2c1C)C(=O)c1ccc(NS(C)(=O)=O)c(OC(F)(F)F)c1 |r| Show InChI InChI=1S/C28H31F3N4O6S/c1-16-14-34(12-11-33(16)3)23-8-6-20-19-9-10-35(15-21(19)27(37)40-25(20)17(23)2)26(36)18-5-7-22(32-42(4,38)39)24(13-18)41-28(29,30)31/h5-8,13,16,32H,9-12,14-15H2,1-4H3/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 570 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant MTHFD1 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD |
J Med Chem 62: 10204-10220 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01113
BindingDB Entry DOI: 10.7270/Q2BC42TM |
More data for this
Ligand-Target Pair | |
C-1-tetrahydrofolate synthase, cytoplasmic
(Homo sapiens (Human)) | BDBM50509346
(CHEMBL4470947)Show SMILES C[C@H]1CN(CCN1C)c1ccc2c3CCN(Cc3c(=O)oc2c1C)C(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 |r| Show InChI InChI=1S/C27H31ClN4O5S/c1-16-14-31(12-11-30(16)3)24-8-6-20-19-9-10-32(15-21(19)27(34)37-25(20)17(24)2)26(33)18-5-7-23(22(28)13-18)29-38(4,35)36/h5-8,13,16,29H,9-12,14-15H2,1-4H3/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant MTHFD1 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD |
J Med Chem 62: 10204-10220 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01113
BindingDB Entry DOI: 10.7270/Q2BC42TM |
More data for this
Ligand-Target Pair | |
C-1-tetrahydrofolate synthase, cytoplasmic
(Homo sapiens (Human)) | BDBM50509362
(CHEMBL4483030)Show SMILES CN1CCN(CC1)c1ccc2c3CCN(Cc3c(=O)oc2c1C)C(=O)c1ccc(NS(C)(=O)=O)c(OC(F)(F)F)c1 Show InChI InChI=1S/C27H29F3N4O6S/c1-16-22(33-12-10-32(2)11-13-33)7-5-19-18-8-9-34(15-20(18)26(36)39-24(16)19)25(35)17-4-6-21(31-41(3,37)38)23(14-17)40-27(28,29)30/h4-7,14,31H,8-13,15H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant MTHFD1 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD |
J Med Chem 62: 10204-10220 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01113
BindingDB Entry DOI: 10.7270/Q2BC42TM |
More data for this
Ligand-Target Pair | |
C-1-tetrahydrofolate synthase, cytoplasmic
(Homo sapiens (Human)) | BDBM50509354
(CHEMBL4542665)Show SMILES CN1CCN(CC1)c1ccc2c3CCN(Cc3c(=O)oc2c1C)C(=O)c1ccc(NS(C)(=O)=O)c(Br)c1 Show InChI InChI=1S/C26H29BrN4O5S/c1-16-23(30-12-10-29(2)11-13-30)7-5-19-18-8-9-31(15-20(18)26(33)36-24(16)19)25(32)17-4-6-22(21(27)14-17)28-37(3,34)35/h4-7,14,28H,8-13,15H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant MTHFD1 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD |
J Med Chem 62: 10204-10220 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01113
BindingDB Entry DOI: 10.7270/Q2BC42TM |
More data for this
Ligand-Target Pair | |
C-1-tetrahydrofolate synthase, cytoplasmic
(Homo sapiens (Human)) | BDBM50509356
(CHEMBL4584730)Show SMILES C[C@H]1CN(C[C@@H](C)N1C)c1ccc2c3CCN(Cc3c(=O)oc2c1C)C(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 |r| Show InChI InChI=1S/C28H33ClN4O5S/c1-16-13-33(14-17(2)31(16)4)25-9-7-21-20-10-11-32(15-22(20)28(35)38-26(21)18(25)3)27(34)19-6-8-24(23(29)12-19)30-39(5,36)37/h6-9,12,16-17,30H,10-11,13-15H2,1-5H3/t16-,17+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant MTHFD1 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD |
J Med Chem 62: 10204-10220 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01113
BindingDB Entry DOI: 10.7270/Q2BC42TM |
More data for this
Ligand-Target Pair | |
C-1-tetrahydrofolate synthase, cytoplasmic
(Homo sapiens (Human)) | BDBM50509350
(CHEMBL4441993)Show SMILES Cl.CN(C)CCOc1ccc2c3CCN(Cc3c(=O)oc2c1C)C(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C25H26N2O6/c1-15-21(32-13-12-26(2)3)9-8-19-18-10-11-27(14-20(18)25(31)33-22(15)19)23(28)16-4-6-17(7-5-16)24(29)30/h4-9H,10-14H2,1-3H3,(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant MTHFD1 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD |
J Med Chem 62: 10204-10220 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01113
BindingDB Entry DOI: 10.7270/Q2BC42TM |
More data for this
Ligand-Target Pair | |
C-1-tetrahydrofolate synthase, cytoplasmic
(Homo sapiens (Human)) | BDBM50509358
(CHEMBL4534641)Show SMILES OC(=O)C(F)(F)F.CN1CCN(CC1)c1ccc2c3CCN(Cc3c(=O)oc2c1C)C(=O)c1ccc2NS(=O)(=O)Cc2c1 Show InChI InChI=1S/C26H28N4O5S/c1-16-23(29-11-9-28(2)10-12-29)6-4-20-19-7-8-30(14-21(19)26(32)35-24(16)20)25(31)17-3-5-22-18(13-17)15-36(33,34)27-22/h3-6,13,27H,7-12,14-15H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant MTHFD1 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD |
J Med Chem 62: 10204-10220 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01113
BindingDB Entry DOI: 10.7270/Q2BC42TM |
More data for this
Ligand-Target Pair | |
C-1-tetrahydrofolate synthase, cytoplasmic
(Homo sapiens (Human)) | BDBM50509361
(CHEMBL4441792)Show SMILES CN(C)c1ccc(cc1)-c1ccc2c3CCN(Cc3c(=O)oc2c1)C(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C28H24N2O5/c1-29(2)21-10-7-17(8-11-21)20-9-12-23-22-13-14-30(16-24(22)28(34)35-25(23)15-20)26(31)18-3-5-19(6-4-18)27(32)33/h3-12,15H,13-14,16H2,1-2H3,(H,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant MTHFD1 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD |
J Med Chem 62: 10204-10220 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01113
BindingDB Entry DOI: 10.7270/Q2BC42TM |
More data for this
Ligand-Target Pair | |
C-1-tetrahydrofolate synthase, cytoplasmic
(Homo sapiens (Human)) | BDBM50509353
(CHEMBL4546647)Show SMILES CN1CCN(CC1)c1ccc2c3CCN(Cc3c(=O)oc2c1C)C(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 Show InChI InChI=1S/C26H29ClN4O5S/c1-16-23(30-12-10-29(2)11-13-30)7-5-19-18-8-9-31(15-20(18)26(33)36-24(16)19)25(32)17-4-6-22(21(27)14-17)28-37(3,34)35/h4-7,14,28H,8-13,15H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant MTHFD1 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD |
J Med Chem 62: 10204-10220 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01113
BindingDB Entry DOI: 10.7270/Q2BC42TM |
More data for this
Ligand-Target Pair | |
C-1-tetrahydrofolate synthase, cytoplasmic
(Homo sapiens (Human)) | BDBM50509360
(CHEMBL4538356)Show SMILES CN1CCN(CC1)c1ccc2c3CCN(Cc3c(=O)oc2c1C)C(=O)c1ccc(NS(C)(=O)=O)c(F)c1 Show InChI InChI=1S/C26H29FN4O5S/c1-16-23(30-12-10-29(2)11-13-30)7-5-19-18-8-9-31(15-20(18)26(33)36-24(16)19)25(32)17-4-6-22(21(27)14-17)28-37(3,34)35/h4-7,14,28H,8-13,15H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant MTHFD1 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD |
J Med Chem 62: 10204-10220 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01113
BindingDB Entry DOI: 10.7270/Q2BC42TM |
More data for this
Ligand-Target Pair | |
C-1-tetrahydrofolate synthase, cytoplasmic
(Homo sapiens (Human)) | BDBM50509351
(CHEMBL4460077)Show SMILES OC(=O)C(F)(F)F.CN(C)CCOc1ccc2c3CCN(Cc3c(=O)oc2c1C)C(=O)c1ccc2NS(=O)(=O)Cc2c1 Show InChI InChI=1S/C25H27N3O6S/c1-15-22(33-11-10-27(2)3)7-5-19-18-8-9-28(13-20(18)25(30)34-23(15)19)24(29)16-4-6-21-17(12-16)14-35(31,32)26-21/h4-7,12,26H,8-11,13-14H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant MTHFD1 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD |
J Med Chem 62: 10204-10220 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01113
BindingDB Entry DOI: 10.7270/Q2BC42TM |
More data for this
Ligand-Target Pair | |
C-1-tetrahydrofolate synthase, cytoplasmic
(Homo sapiens) | BDBM50580121
(CHEMBL5085594)Show SMILES Cn1c(NC(=O)Nc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1=O |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of C-terminal His-tagged human MTHFD1 (1 to 306 residues) expressed in insect cells using tetrahydrofolate as substrate preincubated for 1... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00663
BindingDB Entry DOI: 10.7270/Q2B56PKM |
More data for this
Ligand-Target Pair | |
C-1-tetrahydrofolate synthase, cytoplasmic
(Homo sapiens) | BDBM50580122
(CHEMBL5074925)Show SMILES Cn1c2ccc(cc2c(=O)n(Cc2ccc(Cl)c(Cl)c2)c1=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of C-terminal His-tagged human MTHFD1 (1 to 306 residues) expressed in insect cells using tetrahydrofolate as substrate preincubated for 1... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00663
BindingDB Entry DOI: 10.7270/Q2B56PKM |
More data for this
Ligand-Target Pair | |
C-1-tetrahydrofolate synthase, cytoplasmic
(Homo sapiens) | BDBM50580120
(CHEMBL5077920)Show SMILES Cn1c(NC(=O)Nc2ccc(cc2)C(O)=O)cc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1=O | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of C-terminal His-tagged human MTHFD1 (1 to 306 residues) expressed in insect cells using tetrahydrofolate as substrate preincubated for 1... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00663
BindingDB Entry DOI: 10.7270/Q2B56PKM |
More data for this
Ligand-Target Pair | |
C-1-tetrahydrofolate synthase, cytoplasmic
(Homo sapiens) | BDBM50580119
(CHEMBL5082640)Show SMILES Cn1c(Nc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)nc2n(C)c(=O)n(Cc3ccccc3)c(=O)c12 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of C-terminal His-tagged human MTHFD1 (1 to 306 residues) expressed in insect cells using tetrahydrofolate as substrate preincubated for 1... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00663
BindingDB Entry DOI: 10.7270/Q2B56PKM |
More data for this
Ligand-Target Pair | |
C-1-tetrahydrofolate synthase, cytoplasmic
(Homo sapiens) | BDBM50580118
(CHEMBL5094059)Show SMILES Cn1c(Nc2ccc(cc2)C(=O)N[C@@H](CC(O)=O)C(O)=O)nc2n(C)c(=O)n(Cc3ccccc3)c(=O)c12 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of C-terminal His-tagged human MTHFD1 (1 to 306 residues) expressed in insect cells using tetrahydrofolate as substrate preincubated for 1... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00663
BindingDB Entry DOI: 10.7270/Q2B56PKM |
More data for this
Ligand-Target Pair | |
C-1-tetrahydrofolate synthase, cytoplasmic
(Homo sapiens) | BDBM50580117
(CHEMBL5076176)Show SMILES Cn1c(Nc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)nc2n(C)c(=O)n(Cc3cc4c(Cl)cccc4[nH]3)c(=O)c12 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of C-terminal His-tagged human MTHFD1 (1 to 306 residues) expressed in insect cells using tetrahydrofolate as substrate preincubated for 1... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00663
BindingDB Entry DOI: 10.7270/Q2B56PKM |
More data for this
Ligand-Target Pair | |
C-1-tetrahydrofolate synthase, cytoplasmic
(Homo sapiens) | BDBM50580116
(CHEMBL5093943)Show SMILES Cn1c(Nc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)nc2n(C)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)c12 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of C-terminal His-tagged human MTHFD1 (1 to 306 residues) expressed in insect cells using tetrahydrofolate as substrate preincubated for 1... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00663
BindingDB Entry DOI: 10.7270/Q2B56PKM |
More data for this
Ligand-Target Pair | |
C-1-tetrahydrofolate synthase, cytoplasmic
(Homo sapiens) | BDBM50580115
(CHEMBL5084848)Show SMILES Cn1c(Nc2ccc(cc2)C(=O)N[C@@H](CC(O)=O)C(O)=O)nc2n(C)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)c12 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of C-terminal His-tagged human MTHFD1 (1 to 306 residues) expressed in insect cells using tetrahydrofolate as substrate preincubated for 1... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00663
BindingDB Entry DOI: 10.7270/Q2B56PKM |
More data for this
Ligand-Target Pair | |
C-1-tetrahydrofolate synthase, cytoplasmic
(Homo sapiens) | BDBM50580114
(CHEMBL5075801)Show SMILES Cn1c(Nc2ccc(cc2)C(O)=O)nc2n(C)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)c12 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of C-terminal His-tagged human MTHFD1 (1 to 306 residues) expressed in insect cells using tetrahydrofolate as substrate preincubated for 1... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00663
BindingDB Entry DOI: 10.7270/Q2B56PKM |
More data for this
Ligand-Target Pair | |
C-1-tetrahydrofolate synthase, cytoplasmic
(Homo sapiens) | BDBM50580113
(CHEMBL5090659)Show SMILES Cc1cc(Nc2nc3n(C)c(=O)n(Cc4cc5c(Cl)cccc5[nH]4)c(=O)c3n2C)nc(CCC(O)=O)n1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of C-terminal His-tagged human MTHFD1 (1 to 306 residues) expressed in insect cells using tetrahydrofolate as substrate preincubated for 1... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00663
BindingDB Entry DOI: 10.7270/Q2B56PKM |
More data for this
Ligand-Target Pair | |
C-1-tetrahydrofolate synthase, cytoplasmic
(Homo sapiens) | BDBM50580112
(CHEMBL5077748)Show SMILES Cn1c(N[C@H]2CC[C@H](O)CC2)nc2n(C)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)c12 |r,wU:4.3,wD:7.7,(14.78,-9.97,;14.31,-8.5,;15.22,-7.26,;16.76,-7.27,;17.54,-5.94,;16.78,-4.61,;17.56,-3.28,;19.1,-3.29,;19.89,-1.97,;19.86,-4.63,;19.08,-5.95,;14.32,-6,;12.85,-6.47,;11.52,-5.7,;11.52,-4.16,;10.18,-6.47,;8.84,-5.7,;10.18,-8.01,;8.85,-8.78,;7.52,-8.01,;7.51,-6.46,;6.18,-5.7,;4.85,-6.47,;3.52,-5.7,;4.85,-8.01,;3.51,-8.78,;6.18,-8.78,;11.52,-8.78,;11.52,-10.32,;12.84,-8.02,)| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of C-terminal His-tagged human MTHFD1 (1 to 306 residues) expressed in insect cells using tetrahydrofolate as substrate preincubated for 1... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00663
BindingDB Entry DOI: 10.7270/Q2B56PKM |
More data for this
Ligand-Target Pair | |
C-1-tetrahydrofolate synthase, cytoplasmic
(Homo sapiens (Human)) | BDBM50509359
(CHEMBL4474051)Show SMILES C[C@@H]1CN(CCN1C)c1ccc2c3CCN(Cc3c(=O)oc2c1C)C(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 |r| Show InChI InChI=1S/C27H31ClN4O5S/c1-16-14-31(12-11-30(16)3)24-8-6-20-19-9-10-32(15-21(19)27(34)37-25(20)17(24)2)26(33)18-5-7-23(22(28)13-18)29-38(4,35)36/h5-8,13,16,29H,9-12,14-15H2,1-4H3/t16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant MTHFD1 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD |
J Med Chem 62: 10204-10220 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01113
BindingDB Entry DOI: 10.7270/Q2BC42TM |
More data for this
Ligand-Target Pair | |
C-1-tetrahydrofolate synthase, cytoplasmic
(Homo sapiens (Human)) | BDBM50509348
(CHEMBL4458187)Show SMILES CN(C)CCCOc1ccc2c3CCN(Cc3c(=O)oc2c1)C(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C25H26N2O6/c1-26(2)11-3-13-32-18-8-9-20-19-10-12-27(15-21(19)25(31)33-22(20)14-18)23(28)16-4-6-17(7-5-16)24(29)30/h4-9,14H,3,10-13,15H2,1-2H3,(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.87E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant MTHFD1 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD |
J Med Chem 62: 10204-10220 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01113
BindingDB Entry DOI: 10.7270/Q2BC42TM |
More data for this
Ligand-Target Pair | |
C-1-tetrahydrofolate synthase, cytoplasmic
(Homo sapiens (Human)) | BDBM50509344
(CHEMBL4460238)Show SMILES CN(C)Cc1ccc(cc1)-c1ccc2c3CCN(Cc3c(=O)oc2c1)C(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C29H26N2O5/c1-30(2)16-18-3-5-19(6-4-18)22-11-12-24-23-13-14-31(17-25(23)29(35)36-26(24)15-22)27(32)20-7-9-21(10-8-20)28(33)34/h3-12,15H,13-14,16-17H2,1-2H3,(H,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant MTHFD1 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD |
J Med Chem 62: 10204-10220 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01113
BindingDB Entry DOI: 10.7270/Q2BC42TM |
More data for this
Ligand-Target Pair | |
C-1-tetrahydrofolate synthase, cytoplasmic
(Homo sapiens (Human)) | BDBM50509343
(CHEMBL4472668)Show SMILES CN1CCC(CC1)Oc1ccc2c3CCN(Cc3c(=O)oc2c1)C(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C26H26N2O6/c1-27-11-8-18(9-12-27)33-19-6-7-21-20-10-13-28(15-22(20)26(32)34-23(21)14-19)24(29)16-2-4-17(5-3-16)25(30)31/h2-7,14,18H,8-13,15H2,1H3,(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant MTHFD1 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD |
J Med Chem 62: 10204-10220 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01113
BindingDB Entry DOI: 10.7270/Q2BC42TM |
More data for this
Ligand-Target Pair | |
C-1-tetrahydrofolate synthase, cytoplasmic
(Homo sapiens (Human)) | BDBM50535654
(CHEMBL4459818)Show SMILES CC1CN(Cc2c1nc([nH]c2=O)-c1ccccc1)C(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C22H19N3O4/c1-13-11-25(21(27)15-7-9-16(10-8-15)22(28)29)12-17-18(13)23-19(24-20(17)26)14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H,28,29)(H,23,24,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant MTHFD1 (unknown origin) assessed as reduction in methenyl-THF formation using tetrahydrofolate, NADP and formaldehyde incub... |
ACS Med Chem Lett 10: 893-898 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00069
BindingDB Entry DOI: 10.7270/Q2J67MFK |
More data for this
Ligand-Target Pair | |
C-1-tetrahydrofolate synthase, cytoplasmic
(Homo sapiens (Human)) | BDBM50535655
(CHEMBL4440948)Show SMILES Cn1c(nc2CCN(Cc2c1=O)C(=O)c1ccc(cc1)C(O)=O)-c1ccccc1 Show InChI InChI=1S/C22H19N3O4/c1-24-19(14-5-3-2-4-6-14)23-18-11-12-25(13-17(18)21(24)27)20(26)15-7-9-16(10-8-15)22(28)29/h2-10H,11-13H2,1H3,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant MTHFD1 (unknown origin) assessed as reduction in methenyl-THF formation using tetrahydrofolate, NADP and formaldehyde incub... |
ACS Med Chem Lett 10: 893-898 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00069
BindingDB Entry DOI: 10.7270/Q2J67MFK |
More data for this
Ligand-Target Pair | |
C-1-tetrahydrofolate synthase, cytoplasmic
(Homo sapiens (Human)) | BDBM50535657
(CHEMBL4469262)Show SMILES OC(=O)c1ccc(cc1)C(=O)N1CCc2c(C1)c(=O)n1CCCn21 Show InChI InChI=1S/C17H17N3O4/c21-15(11-2-4-12(5-3-11)17(23)24)18-9-6-14-13(10-18)16(22)20-8-1-7-19(14)20/h2-5H,1,6-10H2,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant MTHFD1 (unknown origin) assessed as reduction in methenyl-THF formation using tetrahydrofolate, NADP and formaldehyde incub... |
ACS Med Chem Lett 10: 893-898 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00069
BindingDB Entry DOI: 10.7270/Q2J67MFK |
More data for this
Ligand-Target Pair | |
C-1-tetrahydrofolate synthase, cytoplasmic
(Homo sapiens (Human)) | BDBM50535658
(CHEMBL4465667)Show SMILES OC(=O)c1ccc(cc1)C(=O)N1CCc2c(C1)c(=O)n1CCCCn21 Show InChI InChI=1S/C18H19N3O4/c22-16(12-3-5-13(6-4-12)18(24)25)19-10-7-15-14(11-19)17(23)21-9-2-1-8-20(15)21/h3-6H,1-2,7-11H2,(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant MTHFD1 (unknown origin) assessed as reduction in methenyl-THF formation using tetrahydrofolate, NADP and formaldehyde incub... |
ACS Med Chem Lett 10: 893-898 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00069
BindingDB Entry DOI: 10.7270/Q2J67MFK |
More data for this
Ligand-Target Pair | |
C-1-tetrahydrofolate synthase, cytoplasmic
(Homo sapiens (Human)) | BDBM50535659
(CHEMBL4474283)Show SMILES OC(=O)c1ccc(cc1)C(=O)N1CCc2c(C1)c(=O)oc1ccccc21 Show InChI InChI=1S/C20H15NO5/c22-18(12-5-7-13(8-6-12)19(23)24)21-10-9-14-15-3-1-2-4-17(15)26-20(25)16(14)11-21/h1-8H,9-11H2,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant MTHFD1 (unknown origin) assessed as reduction in methenyl-THF formation using tetrahydrofolate, NADP and formaldehyde incub... |
ACS Med Chem Lett 10: 893-898 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00069
BindingDB Entry DOI: 10.7270/Q2J67MFK |
More data for this
Ligand-Target Pair | |
C-1-tetrahydrofolate synthase, cytoplasmic
(Homo sapiens (Human)) | BDBM50535674
(CHEMBL4538051)Show SMILES OC(=O)c1ccc(cc1)C(=O)N1CCc2c(C1)c(=O)[nH]c1ccccc21 Show InChI InChI=1S/C20H16N2O4/c23-18-16-11-22(19(24)12-5-7-13(8-6-12)20(25)26)10-9-14(16)15-3-1-2-4-17(15)21-18/h1-8H,9-11H2,(H,21,23)(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant MTHFD1 (unknown origin) assessed as reduction in methenyl-THF formation using tetrahydrofolate, NADP and formaldehyde incub... |
ACS Med Chem Lett 10: 893-898 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00069
BindingDB Entry DOI: 10.7270/Q2J67MFK |
More data for this
Ligand-Target Pair | |
C-1-tetrahydrofolate synthase, cytoplasmic
(Homo sapiens (Human)) | BDBM50535670
(CHEMBL4448164)Show SMILES Cn1c2CCN(Cc2c(=O)cc1-c1ccccc1)C(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C23H20N2O4/c1-24-19-11-12-25(22(27)16-7-9-17(10-8-16)23(28)29)14-18(19)21(26)13-20(24)15-5-3-2-4-6-15/h2-10,13H,11-12,14H2,1H3,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant MTHFD1 (unknown origin) assessed as reduction in methenyl-THF formation using tetrahydrofolate, NADP and formaldehyde incub... |
ACS Med Chem Lett 10: 893-898 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00069
BindingDB Entry DOI: 10.7270/Q2J67MFK |
More data for this
Ligand-Target Pair | |
C-1-tetrahydrofolate synthase, cytoplasmic
(Homo sapiens (Human)) | BDBM50509345
(CHEMBL4592118)Show SMILES CN1CCN(CC1)c1ccc2c3CCN(Cc3c(=O)oc2c1C)C(=O)c1ccc(NS(C)(=O)=O)c(C)c1 Show InChI InChI=1S/C27H32N4O5S/c1-17-15-19(5-7-23(17)28-37(4,34)35)26(32)31-10-9-20-21-6-8-24(30-13-11-29(3)12-14-30)18(2)25(21)36-27(33)22(20)16-31/h5-8,15,28H,9-14,16H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant MTHFD1 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD |
J Med Chem 62: 10204-10220 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01113
BindingDB Entry DOI: 10.7270/Q2BC42TM |
More data for this
Ligand-Target Pair | |
C-1-tetrahydrofolate synthase, cytoplasmic
(Homo sapiens (Human)) | BDBM50509342
(CHEMBL4438430)Show SMILES COc1cc(ccc1NS(C)(=O)=O)C(=O)N1CCc2c(C1)c(=O)oc1c(C)c(ccc21)N1CCN(C)CC1 Show InChI InChI=1S/C27H32N4O6S/c1-17-23(30-13-11-29(2)12-14-30)8-6-20-19-9-10-31(16-21(19)27(33)37-25(17)20)26(32)18-5-7-22(24(15-18)36-3)28-38(4,34)35/h5-8,15,28H,9-14,16H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant MTHFD1 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD |
J Med Chem 62: 10204-10220 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01113
BindingDB Entry DOI: 10.7270/Q2BC42TM |
More data for this
Ligand-Target Pair | |
C-1-tetrahydrofolate synthase, cytoplasmic
(Homo sapiens (Human)) | BDBM50509347
(CHEMBL4526400)Show SMILES CN(C)CCOc1ccc2c3CCN(Cc3c(=O)oc2c1)C(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C24H24N2O6/c1-25(2)11-12-31-17-7-8-19-18-9-10-26(14-20(18)24(30)32-21(19)13-17)22(27)15-3-5-16(6-4-15)23(28)29/h3-8,13H,9-12,14H2,1-2H3,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant MTHFD1 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD |
J Med Chem 62: 10204-10220 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01113
BindingDB Entry DOI: 10.7270/Q2BC42TM |
More data for this
Ligand-Target Pair | |
C-1-tetrahydrofolate synthase, cytoplasmic
(Homo sapiens (Human)) | BDBM50535652
(CHEMBL4547499)Show SMILES OC(=O)c1ccc(cc1)C(=O)N1CCc2nc3CCCCn3c(=O)c2C1 Show InChI InChI=1S/C19H19N3O4/c23-17(12-4-6-13(7-5-12)19(25)26)21-10-8-15-14(11-21)18(24)22-9-2-1-3-16(22)20-15/h4-7H,1-3,8-11H2,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant MTHFD1 (unknown origin) assessed as reduction in methenyl-THF formation using tetrahydrofolate, NADP and formaldehyde incub... |
ACS Med Chem Lett 10: 893-898 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00069
BindingDB Entry DOI: 10.7270/Q2J67MFK |
More data for this
Ligand-Target Pair | |
C-1-tetrahydrofolate synthase, cytoplasmic
(Homo sapiens (Human)) | BDBM50535653
(CHEMBL4530832)Show SMILES OC(=O)c1ccc(cc1)C(=O)N1CCc2nc([nH]c(=O)c2C1)-c1ccccc1 Show InChI InChI=1S/C21H17N3O4/c25-19-16-12-24(20(26)14-6-8-15(9-7-14)21(27)28)11-10-17(16)22-18(23-19)13-4-2-1-3-5-13/h1-9H,10-12H2,(H,27,28)(H,22,23,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant MTHFD1 (unknown origin) assessed as reduction in methenyl-THF formation using tetrahydrofolate, NADP and formaldehyde incub... |
ACS Med Chem Lett 10: 893-898 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00069
BindingDB Entry DOI: 10.7270/Q2J67MFK |
More data for this
Ligand-Target Pair | |
C-1-tetrahydrofolate synthase, cytoplasmic
(Homo sapiens (Human)) | BDBM50509352
(CHEMBL4451401)Show SMILES CN1CCN(CC1)c1ccc2c3CCN(Cc3c(=O)oc2c1C)C(=O)c1ccc(NS(C)(=O)=O)cc1 Show InChI InChI=1S/C26H30N4O5S/c1-17-23(29-14-12-28(2)13-15-29)9-8-21-20-10-11-30(16-22(20)26(32)35-24(17)21)25(31)18-4-6-19(7-5-18)27-36(3,33)34/h4-9,27H,10-16H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant MTHFD1 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD |
J Med Chem 62: 10204-10220 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01113
BindingDB Entry DOI: 10.7270/Q2BC42TM |
More data for this
Ligand-Target Pair | |
C-1-tetrahydrofolate synthase, cytoplasmic
(Homo sapiens (Human)) | BDBM50509363
(CHEMBL4467997)Show SMILES CN1CCN(CC1)c1ccc2c3CCN(Cc3c(=O)oc2c1)C(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C25H25N3O5/c1-26-10-12-27(13-11-26)18-6-7-20-19-8-9-28(15-21(19)25(32)33-22(20)14-18)23(29)16-2-4-17(5-3-16)24(30)31/h2-7,14H,8-13,15H2,1H3,(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant MTHFD1 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD |
J Med Chem 62: 10204-10220 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01113
BindingDB Entry DOI: 10.7270/Q2BC42TM |
More data for this
Ligand-Target Pair | |
C-1-tetrahydrofolate synthase, cytoplasmic
(Homo sapiens (Human)) | BDBM50535651
(CHEMBL4543120)Show InChI InChI=1S/C16H17N3O4/c1-17-13-7-8-19(9-12(13)15(21)18(17)2)14(20)10-3-5-11(6-4-10)16(22)23/h3-6H,7-9H2,1-2H3,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant MTHFD1 (unknown origin) assessed as reduction in methenyl-THF formation using tetrahydrofolate, NADP and formaldehyde incub... |
ACS Med Chem Lett 10: 893-898 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00069
BindingDB Entry DOI: 10.7270/Q2J67MFK |
More data for this
Ligand-Target Pair | |
C-1-tetrahydrofolate synthase, cytoplasmic
(Homo sapiens (Human)) | BDBM50509355
(CHEMBL4551634)Show SMILES CN1CCN(CC1)c1ccc2c3CCN(Cc3c(=O)oc2c1C)C(=O)c1cc(Cl)cc(NS(C)(=O)=O)c1 Show InChI InChI=1S/C26H29ClN4O5S/c1-16-23(30-10-8-29(2)9-11-30)5-4-21-20-6-7-31(15-22(20)26(33)36-24(16)21)25(32)17-12-18(27)14-19(13-17)28-37(3,34)35/h4-5,12-14,28H,6-11,15H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant MTHFD1 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD |
J Med Chem 62: 10204-10220 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01113
BindingDB Entry DOI: 10.7270/Q2BC42TM |
More data for this
Ligand-Target Pair | |
C-1-tetrahydrofolate synthase, cytoplasmic
(Homo sapiens (Human)) | BDBM50509349
(CHEMBL4436668)Show SMILES Cc1cccc2oc(=O)c3CN(CCc3c12)C(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C21H17NO5/c1-12-3-2-4-17-18(12)15-9-10-22(11-16(15)21(26)27-17)19(23)13-5-7-14(8-6-13)20(24)25/h2-8H,9-11H2,1H3,(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant MTHFD1 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD |
J Med Chem 62: 10204-10220 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01113
BindingDB Entry DOI: 10.7270/Q2BC42TM |
More data for this
Ligand-Target Pair | |
C-1-tetrahydrofolate synthase, cytoplasmic
(Homo sapiens (Human)) | BDBM50509357
(CHEMBL4473116)Show SMILES Cl.CN(C)CCOc1cc2oc(=O)c3CN(CCc3c2cc1C)C(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C25H26N2O6/c1-15-12-19-18-8-9-27(23(28)16-4-6-17(7-5-16)24(29)30)14-20(18)25(31)33-22(19)13-21(15)32-11-10-26(2)3/h4-7,12-13H,8-11,14H2,1-3H3,(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant MTHFD1 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD |
J Med Chem 62: 10204-10220 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01113
BindingDB Entry DOI: 10.7270/Q2BC42TM |
More data for this
Ligand-Target Pair | |
C-1-tetrahydrofolate synthase, cytoplasmic
(Homo sapiens (Human)) | BDBM50535660
(CHEMBL4520035)Show SMILES O=C(N1CCc2nc([nH]c(=O)c2C1)-c1ccccc1)c1ccc2NS(=O)(=O)Cc2c1 Show InChI InChI=1S/C21H18N4O4S/c26-20-16-11-25(9-8-18(16)22-19(23-20)13-4-2-1-3-5-13)21(27)14-6-7-17-15(10-14)12-30(28,29)24-17/h1-7,10,24H,8-9,11-12H2,(H,22,23,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant MTHFD1 (unknown origin) assessed as reduction in methenyl-THF formation using tetrahydrofolate, NADP and formaldehyde incub... |
ACS Med Chem Lett 10: 893-898 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00069
BindingDB Entry DOI: 10.7270/Q2J67MFK |
More data for this
Ligand-Target Pair | |
C-1-tetrahydrofolate synthase, cytoplasmic
(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
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MTHFD1 (unknown origin) using NADP/5,10-methylene THF as substrate after 30 mins by HPLC 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 | |
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