Found 9 hits Enz. Inhib. hit(s) with all data for entry = 50044243 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
(Lactobacillus casei) | 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
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Lactobacillus casei ATCC 7469 dihydrofolate reductase |
J Med Chem 22: 869-74 (1979)
BindingDB Entry DOI: 10.7270/Q22B90KQ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Dihydrofolate reductase
(Lactobacillus casei) | BDBM50010233
(CHEMBL3245588)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(NC(=O)NC(CC(O)=O)C(O)=O)cc1 Show InChI InChI=1S/C19H21N9O5/c1-28(8-10-7-22-16-14(23-10)15(20)26-18(21)27-16)11-4-2-9(3-5-11)24-19(33)25-12(17(31)32)6-13(29)30/h2-5,7,12H,6,8H2,1H3,(H,29,30)(H,31,32)(H2,24,25,33)(H4,20,21,22,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Lactobacillus casei ATCC 7469 dihydrofolate reductase |
J Med Chem 22: 869-74 (1979)
BindingDB Entry DOI: 10.7270/Q22B90KQ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Lactobacillus casei) | BDBM50010234
(CHEMBL3245589)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(NC(=O)NC(CCC(O)=O)C(O)=O)cc1 Show InChI InChI=1S/C20H23N9O5/c1-29(9-11-8-23-17-15(24-11)16(21)27-19(22)28-17)12-4-2-10(3-5-12)25-20(34)26-13(18(32)33)6-7-14(30)31/h2-5,8,13H,6-7,9H2,1H3,(H,30,31)(H,32,33)(H2,25,26,34)(H4,21,22,23,27,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Lactobacillus casei ATCC 7469 dihydrofolate reductase |
J Med Chem 22: 869-74 (1979)
BindingDB Entry DOI: 10.7270/Q22B90KQ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Lactobacillus casei) | BDBM50010232
(CHEMBL3245587)Show SMILES COC(=O)CC[C@H](NC(=O)Nc1ccc(cc1)N(C)Cc1cnc2nc(N)nc(N)c2n1)C(=O)OC |r| Show InChI InChI=1S/C22H27N9O5/c1-31(11-13-10-25-19-17(26-13)18(23)29-21(24)30-19)14-6-4-12(5-7-14)27-22(34)28-15(20(33)36-3)8-9-16(32)35-2/h4-7,10,15H,8-9,11H2,1-3H3,(H2,27,28,34)(H4,23,24,25,29,30)/t15-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Lactobacillus casei ATCC 7469 dihydrofolate reductase |
J Med Chem 22: 869-74 (1979)
BindingDB Entry DOI: 10.7270/Q22B90KQ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Lactobacillus casei) | BDBM50010230
(CHEMBL3245586)Show SMILES COC(=O)C[C@H](NC(=O)Nc1ccc(cc1)N(C)Cc1cnc2nc(N)nc(N)c2n1)C(=O)OC |r| Show InChI InChI=1S/C21H25N9O5/c1-30(10-12-9-24-18-16(25-12)17(22)28-20(23)29-18)13-6-4-11(5-7-13)26-21(33)27-14(19(32)35-3)8-15(31)34-2/h4-7,9,14H,8,10H2,1-3H3,(H2,26,27,33)(H4,22,23,24,28,29)/t14-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Lactobacillus casei ATCC 7469 dihydrofolate reductase |
J Med Chem 22: 869-74 (1979)
BindingDB Entry DOI: 10.7270/Q22B90KQ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Lactobacillus casei) | BDBM50010235
(CHEMBL3245590)Show SMILES COC(=O)CCC1NC(=O)N(C1=O)c1ccc(cc1)N(C)Cc1cnc2nc(N)nc(N)c2n1 Show InChI InChI=1S/C21H23N9O4/c1-29(10-11-9-24-18-16(25-11)17(22)27-20(23)28-18)12-3-5-13(6-4-12)30-19(32)14(26-21(30)33)7-8-15(31)34-2/h3-6,9,14H,7-8,10H2,1-2H3,(H,26,33)(H4,22,23,24,27,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Lactobacillus casei ATCC 7469 dihydrofolate reductase |
J Med Chem 22: 869-74 (1979)
BindingDB Entry DOI: 10.7270/Q22B90KQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Lactobacillus casei) | 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
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Lactobacillus casei ATCC 7469 thymidylate synthase |
J Med Chem 22: 869-74 (1979)
BindingDB Entry DOI: 10.7270/Q22B90KQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Lactobacillus casei) | BDBM50010233
(CHEMBL3245588)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(NC(=O)NC(CC(O)=O)C(O)=O)cc1 Show InChI InChI=1S/C19H21N9O5/c1-28(8-10-7-22-16-14(23-10)15(20)26-18(21)27-16)11-4-2-9(3-5-11)24-19(33)25-12(17(31)32)6-13(29)30/h2-5,7,12H,6,8H2,1H3,(H,29,30)(H,31,32)(H2,24,25,33)(H4,20,21,22,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.90E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Lactobacillus casei ATCC 7469 thymidylate synthase |
J Med Chem 22: 869-74 (1979)
BindingDB Entry DOI: 10.7270/Q22B90KQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Lactobacillus casei) | BDBM50010234
(CHEMBL3245589)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(NC(=O)NC(CCC(O)=O)C(O)=O)cc1 Show InChI InChI=1S/C20H23N9O5/c1-29(9-11-8-23-17-15(24-11)16(21)27-19(22)28-17)12-4-2-10(3-5-12)25-20(34)26-13(18(32)33)6-7-14(30)31/h2-5,8,13H,6-7,9H2,1H3,(H,30,31)(H,32,33)(H2,25,26,34)(H4,21,22,23,27,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Lactobacillus casei ATCC 7469 thymidylate synthase |
J Med Chem 22: 869-74 (1979)
BindingDB Entry DOI: 10.7270/Q22B90KQ |
More data for this
Ligand-Target Pair | |
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