Found 36 hits with Last Name = 'schmid' and Initial = 'fa' 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
(Mus musculus (Mouse)) | BDBM50026389
(2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-ami...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCNC(N)=O)C(O)=O Show InChI InChI=1S/C20H24N10O4/c1-30(9-11-8-25-16-14(26-11)15(21)28-19(22)29-16)12-4-2-10(3-5-12)17(31)27-13(18(32)33)6-7-24-20(23)34/h2-5,8,13H,6-7,9H2,1H3,(H,27,31)(H,32,33)(H3,23,24,34)(H4,21,22,25,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.00400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Dihydrofolate reductase in L1210 cell in mice |
J Med Chem 28: 1016-25 (1985)
Article DOI: 10.1021/jm00146a008
BindingDB Entry DOI: 10.7270/Q2BP01TS |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Mus musculus (Mouse)) | 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 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
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
| Purchase
CHEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| 0.00600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Dihydrofolate reductase in L1210 cell in mice |
J Med Chem 28: 1016-25 (1985)
Article DOI: 10.1021/jm00146a008
BindingDB Entry DOI: 10.7270/Q2BP01TS |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Dihydrofolate reductase
(Mus musculus (Mouse)) | BDBM50405400
(CHEMBL2051987)Show SMILES C[C@H](Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C21H23N7O5/c1-10(8-13-9-24-18-16(25-13)17(22)27-21(23)28-18)11-2-4-12(5-3-11)19(31)26-14(20(32)33)6-7-15(29)30/h2-5,9-10,14H,6-8H2,1H3,(H,26,31)(H,29,30)(H,32,33)(H4,22,23,24,27,28)/t10-,14+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for binding affinity against Dihydrofolate reductase of L1210 cells |
J Med Chem 29: 1056-61 (1986)
Article DOI: 10.1021/jm00156a026
BindingDB Entry DOI: 10.7270/Q2P55MHM |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Mus musculus (Mouse)) | BDBM50226274
(CHEMBL3349020)Show SMILES CC[C@H](Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C22H25N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,10-11,15H,2,7-9H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H4,23,24,25,28,29)/t11-,15+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for binding affinity against Dihydrofolate reductase of L1210 cells |
J Med Chem 29: 1056-61 (1986)
Article DOI: 10.1021/jm00156a026
BindingDB Entry DOI: 10.7270/Q2P55MHM |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Mus musculus (Mouse)) | BDBM50405400
(CHEMBL2051987)Show SMILES C[C@H](Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C21H23N7O5/c1-10(8-13-9-24-18-16(25-13)17(22)27-21(23)28-18)11-2-4-12(5-3-11)19(31)26-14(20(32)33)6-7-15(29)30/h2-5,9-10,14H,6-8H2,1H3,(H,26,31)(H,29,30)(H,32,33)(H4,22,23,24,27,28)/t10-,14+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for binding affinity against Dihydrofolate reductase of L1210 cells |
J Med Chem 29: 1056-61 (1986)
Article DOI: 10.1021/jm00156a026
BindingDB Entry DOI: 10.7270/Q2P55MHM |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Mus musculus (Mouse)) | 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 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
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
| Purchase
CHEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for binding affinity against Dihydrofolate reductase of L1210 cells |
J Med Chem 29: 1056-61 (1986)
Article DOI: 10.1021/jm00156a026
BindingDB Entry DOI: 10.7270/Q2P55MHM |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dihydrofolate reductase
(Mus musculus (Mouse)) | BDBM50026392
(2-[3-(2-Carboxy-2-{4-[(2,4-diamino-pteridin-6-ylme...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CNC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O Show InChI InChI=1S/C24H28N10O8/c1-34(10-12-8-27-19-17(29-12)18(25)32-23(26)33-19)13-4-2-11(3-5-13)20(37)30-15(22(40)41)9-28-24(42)31-14(21(38)39)6-7-16(35)36/h2-5,8,14-15H,6-7,9-10H2,1H3,(H,30,37)(H,35,36)(H,38,39)(H,40,41)(H2,28,31,42)(H4,25,26,27,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Dihydrofolate reductase in L1210 cell in mice |
J Med Chem 28: 1016-25 (1985)
Article DOI: 10.1021/jm00146a008
BindingDB Entry DOI: 10.7270/Q2BP01TS |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Mus musculus (Mouse)) | BDBM50026399
(3-(4-Chloro-benzoylamino)-2-{4-[(2,4-diamino-pteri...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CNC(=O)c1ccc(Cl)cc1)C(O)=O Show InChI InChI=1S/C25H24ClN9O4/c1-35(12-16-10-29-21-19(31-16)20(27)33-25(28)34-21)17-8-4-14(5-9-17)23(37)32-18(24(38)39)11-30-22(36)13-2-6-15(26)7-3-13/h2-10,18H,11-12H2,1H3,(H,30,36)(H,32,37)(H,38,39)(H4,27,28,29,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Dihydrofolate reductase in L1210 cell in mice |
J Med Chem 28: 1016-25 (1985)
Article DOI: 10.1021/jm00146a008
BindingDB Entry DOI: 10.7270/Q2BP01TS |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Mus musculus (Mouse)) | BDBM50026391
(5-(4-Chloro-benzoylamino)-2-{4-[(2,4-diamino-pteri...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCCNC(=O)c1ccc(Cl)cc1)C(O)=O Show InChI InChI=1S/C27H28ClN9O4/c1-37(14-18-13-32-23-21(33-18)22(29)35-27(30)36-23)19-10-6-16(7-11-19)25(39)34-20(26(40)41)3-2-12-31-24(38)15-4-8-17(28)9-5-15/h4-11,13,20H,2-3,12,14H2,1H3,(H,31,38)(H,34,39)(H,40,41)(H4,29,30,32,35,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Dihydrofolate reductase in L1210 cell in mice |
J Med Chem 28: 1016-25 (1985)
Article DOI: 10.1021/jm00146a008
BindingDB Entry DOI: 10.7270/Q2BP01TS |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Mus musculus (Mouse)) | 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 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
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
| Purchase
CHEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Dihydrofolate reductase in L1210 cell in mice |
J Med Chem 28: 1016-25 (1985)
Article DOI: 10.1021/jm00146a008
BindingDB Entry DOI: 10.7270/Q2BP01TS |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dihydrofolate reductase
(Mus musculus (Mouse)) | BDBM50026402
(4-(4-Chloro-benzoylamino)-2-{4-[(2,4-diamino-pteri...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCNC(=O)c1ccc(Cl)cc1)C(O)=O Show InChI InChI=1S/C26H26ClN9O4/c1-36(13-17-12-31-22-20(32-17)21(28)34-26(29)35-22)18-8-4-15(5-9-18)24(38)33-19(25(39)40)10-11-30-23(37)14-2-6-16(27)7-3-14/h2-9,12,19H,10-11,13H2,1H3,(H,30,37)(H,33,38)(H,39,40)(H4,28,29,31,34,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Dihydrofolate reductase in L1210 cell in mice |
J Med Chem 28: 1016-25 (1985)
Article DOI: 10.1021/jm00146a008
BindingDB Entry DOI: 10.7270/Q2BP01TS |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Mus musculus (Mouse)) | BDBM50405401
(CHEMBL2051990)Show SMILES CC[C@@H](Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C22H25N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,10-11,15H,2,7-9H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H4,23,24,25,28,29)/t11-,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for binding affinity against Dihydrofolate reductase of L1210 cells |
J Med Chem 29: 1056-61 (1986)
Article DOI: 10.1021/jm00156a026
BindingDB Entry DOI: 10.7270/Q2P55MHM |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Mus musculus (Mouse)) | BDBM50026398
(2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-ami...)Show SMILES CNC(=O)NCC(NC(=O)c1ccc(cc1)N(C)Cc1cnc2nc(N)nc(N)c2n1)C(O)=O Show InChI InChI=1S/C20H24N10O4/c1-23-20(34)25-8-13(18(32)33)27-17(31)10-3-5-12(6-4-10)30(2)9-11-7-24-16-14(26-11)15(21)28-19(22)29-16/h3-7,13H,8-9H2,1-2H3,(H,27,31)(H,32,33)(H2,23,25,34)(H4,21,22,24,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Dihydrofolate reductase in L1210 cell in mice |
J Med Chem 28: 1016-25 (1985)
Article DOI: 10.1021/jm00146a008
BindingDB Entry DOI: 10.7270/Q2BP01TS |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Mus musculus (Mouse)) | BDBM50026394
(2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-ami...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CNC(N)=O)C(O)=O Show InChI InChI=1S/C19H22N10O4/c1-29(8-10-6-23-15-13(25-10)14(20)27-18(21)28-15)11-4-2-9(3-5-11)16(30)26-12(17(31)32)7-24-19(22)33/h2-6,12H,7-8H2,1H3,(H,26,30)(H,31,32)(H3,22,24,33)(H4,20,21,23,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Dihydrofolate reductase in L1210 cell in mice |
J Med Chem 28: 1016-25 (1985)
Article DOI: 10.1021/jm00146a008
BindingDB Entry DOI: 10.7270/Q2BP01TS |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Mus musculus (Mouse)) | BDBM50026401
(2--[3-(2-Carboxy-2-{4-[(2,4-diamino-pteridin-6-ylm...)Show SMILES CCOC(=O)C(CNC(=O)N(CCCl)N=O)NC(=O)c1ccc(cc1)N(C)Cc1cnc2nc(N)nc(N)c2n1 Show InChI InChI=1S/C23H28ClN11O5/c1-3-40-21(37)16(11-28-23(38)35(33-39)9-8-24)30-20(36)13-4-6-15(7-5-13)34(2)12-14-10-27-19-17(29-14)18(25)31-22(26)32-19/h4-7,10,16H,3,8-9,11-12H2,1-2H3,(H,28,38)(H,30,36)(H4,25,26,27,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Dihydrofolate reductase in L1210 cell in mice |
J Med Chem 28: 1016-25 (1985)
Article DOI: 10.1021/jm00146a008
BindingDB Entry DOI: 10.7270/Q2BP01TS |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Mus musculus (Mouse)) | BDBM50026390
(2--[3-(2-Carboxy-2-{4-[(2,4-diamino-pteridin-6-ylm...)Show SMILES CCOC(=O)C(CNC(=O)N(C)N=O)NC(=O)c1ccc(cc1)N(C)Cc1cnc2nc(N)nc(N)c2n1 Show InChI InChI=1S/C22H27N11O5/c1-4-38-20(35)15(10-26-22(36)33(3)31-37)28-19(34)12-5-7-14(8-6-12)32(2)11-13-9-25-18-16(27-13)17(23)29-21(24)30-18/h5-9,15H,4,10-11H2,1-3H3,(H,26,36)(H,28,34)(H4,23,24,25,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Dihydrofolate reductase in L1210 cell in mice |
J Med Chem 28: 1016-25 (1985)
Article DOI: 10.1021/jm00146a008
BindingDB Entry DOI: 10.7270/Q2BP01TS |
More data for this
Ligand-Target Pair | |
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 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
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TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Lactobacillus casei ATCC 7469 |
J Med Chem 29: 1056-61 (1986)
Article DOI: 10.1021/jm00156a026
BindingDB Entry DOI: 10.7270/Q2P55MHM |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dihydrofolate reductase
(Lactobacillus casei) | BDBM50226274
(CHEMBL3349020)Show SMILES CC[C@H](Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C22H25N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,10-11,15H,2,7-9H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H4,23,24,25,28,29)/t11-,15+/m1/s1 | PDB
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Lactobacillus casei ATCC 7469 |
J Med Chem 29: 1056-61 (1986)
Article DOI: 10.1021/jm00156a026
BindingDB Entry DOI: 10.7270/Q2P55MHM |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Gallus gallus (Chicken)) | BDBM50226274
(CHEMBL3349020)Show SMILES CC[C@H](Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C22H25N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,10-11,15H,2,7-9H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H4,23,24,25,28,29)/t11-,15+/m1/s1 | PDB
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Chicken liver |
J Med Chem 29: 1056-61 (1986)
Article DOI: 10.1021/jm00156a026
BindingDB Entry DOI: 10.7270/Q2P55MHM |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Gallus gallus (Chicken)) | 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 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
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Chicken liver |
J Med Chem 29: 1056-61 (1986)
Article DOI: 10.1021/jm00156a026
BindingDB Entry DOI: 10.7270/Q2P55MHM |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Gallus gallus (Chicken)) | BDBM50405399
(CHEMBL2051989)Show SMILES CC[C@H](CC1CNc2nc(N)nc(N)c2N1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C22H29N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,11,14-15,26H,2,7-10H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H5,23,24,25,28,29)/t11-,14?,15+/m1/s1 | PDB
Reactome pathway
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Chicken liver |
J Med Chem 29: 1056-61 (1986)
Article DOI: 10.1021/jm00156a026
BindingDB Entry DOI: 10.7270/Q2P55MHM |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Gallus gallus (Chicken)) | BDBM50004544
(2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-propyl]-...)Show SMILES CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C22H25N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,10-11,15H,2,7-9H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H4,23,24,25,28,29) | PDB
Reactome pathway
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Chicken liver |
J Med Chem 29: 1056-61 (1986)
Article DOI: 10.1021/jm00156a026
BindingDB Entry DOI: 10.7270/Q2P55MHM |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Gallus gallus (Chicken)) | BDBM50405401
(CHEMBL2051990)Show SMILES CC[C@@H](Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C22H25N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,10-11,15H,2,7-9H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H4,23,24,25,28,29)/t11-,15-/m0/s1 | PDB
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Chicken liver |
J Med Chem 29: 1056-61 (1986)
Article DOI: 10.1021/jm00156a026
BindingDB Entry DOI: 10.7270/Q2P55MHM |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Lactobacillus casei) | BDBM50004544
(2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-propyl]-...)Show SMILES CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C22H25N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,10-11,15H,2,7-9H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H4,23,24,25,28,29) | PDB
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Lactobacillus casei ATCC 7469 |
J Med Chem 29: 1056-61 (1986)
Article DOI: 10.1021/jm00156a026
BindingDB Entry DOI: 10.7270/Q2P55MHM |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Dihydrofolate reductase
(Lactobacillus casei) | BDBM50405398
(CHEMBL2051991)Show SMILES CC[C@@H](CC1=Nc2c(N)nc(N)nc2NC1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C22H27N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,11,15H,2,7-10H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H5,23,24,25,28,29)/t11-,15-/m0/s1 | PDB
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Lactobacillus casei ATCC 7469 |
J Med Chem 29: 1056-61 (1986)
Article DOI: 10.1021/jm00156a026
BindingDB Entry DOI: 10.7270/Q2P55MHM |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Gallus gallus (Chicken)) | BDBM50405398
(CHEMBL2051991)Show SMILES CC[C@@H](CC1=Nc2c(N)nc(N)nc2NC1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C22H27N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,11,15H,2,7-10H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H5,23,24,25,28,29)/t11-,15-/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Chicken liver |
J Med Chem 29: 1056-61 (1986)
Article DOI: 10.1021/jm00156a026
BindingDB Entry DOI: 10.7270/Q2P55MHM |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Lactobacillus casei) | BDBM50025007
(2-{4-[2-(2,4-Diamino-7,8-dihydro-pteridin-6-yl)-et...)Show SMILES CCC(CC1=Nc2c(N)nc(N)nc2NC1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C22H27N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,11,15H,2,7-10H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H5,23,24,25,28,29) | PDB
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| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Lactobacillus casei ATCC 7469 |
J Med Chem 29: 1056-61 (1986)
Article DOI: 10.1021/jm00156a026
BindingDB Entry DOI: 10.7270/Q2P55MHM |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Gallus gallus (Chicken)) | BDBM50025008
(2-{4-[2-(2,4-Diamino-5,6,7,8-tetrahydro-pteridin-6...)Show SMILES CCC(CC1CNc2nc(N)nc(N)c2N1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C22H29N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,11,14-15,26H,2,7-10H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H5,23,24,25,28,29) | PDB
Reactome pathway
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| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Chicken liver |
J Med Chem 29: 1056-61 (1986)
Article DOI: 10.1021/jm00156a026
BindingDB Entry DOI: 10.7270/Q2P55MHM |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Gallus gallus (Chicken)) | BDBM50025007
(2-{4-[2-(2,4-Diamino-7,8-dihydro-pteridin-6-yl)-et...)Show SMILES CCC(CC1=Nc2c(N)nc(N)nc2NC1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C22H27N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,11,15H,2,7-10H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H5,23,24,25,28,29) | PDB
Reactome pathway
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| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Chicken liver |
J Med Chem 29: 1056-61 (1986)
Article DOI: 10.1021/jm00156a026
BindingDB Entry DOI: 10.7270/Q2P55MHM |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Lactobacillus casei) | BDBM50405399
(CHEMBL2051989)Show SMILES CC[C@H](CC1CNc2nc(N)nc(N)c2N1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C22H29N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,11,14-15,26H,2,7-10H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H5,23,24,25,28,29)/t11-,14?,15+/m1/s1 | PDB
MMDB
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| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Lactobacillus casei ATCC 7469 |
J Med Chem 29: 1056-61 (1986)
Article DOI: 10.1021/jm00156a026
BindingDB Entry DOI: 10.7270/Q2P55MHM |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Lactobacillus casei) | BDBM50405401
(CHEMBL2051990)Show SMILES CC[C@@H](Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C22H25N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,10-11,15H,2,7-9H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H4,23,24,25,28,29)/t11-,15-/m0/s1 | PDB
MMDB
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PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Lactobacillus casei ATCC 7469 |
J Med Chem 29: 1056-61 (1986)
Article DOI: 10.1021/jm00156a026
BindingDB Entry DOI: 10.7270/Q2P55MHM |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Gallus gallus (Chicken)) | BDBM50405398
(CHEMBL2051991)Show SMILES CC[C@@H](CC1=Nc2c(N)nc(N)nc2NC1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C22H27N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,11,15H,2,7-10H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H5,23,24,25,28,29)/t11-,15-/m0/s1 | PDB
Reactome pathway
KEGG
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PC sid
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Similars
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PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Chicken liver |
J Med Chem 29: 1056-61 (1986)
Article DOI: 10.1021/jm00156a026
BindingDB Entry DOI: 10.7270/Q2P55MHM |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Lactobacillus casei) | BDBM50025008
(2-{4-[2-(2,4-Diamino-5,6,7,8-tetrahydro-pteridin-6...)Show SMILES CCC(CC1CNc2nc(N)nc(N)c2N1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C22H29N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,11,14-15,26H,2,7-10H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H5,23,24,25,28,29) | PDB
MMDB
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PC cid
PC sid
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PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Lactobacillus casei ATCC 7469 |
J Med Chem 29: 1056-61 (1986)
Article DOI: 10.1021/jm00156a026
BindingDB Entry DOI: 10.7270/Q2P55MHM |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Gallus gallus (Chicken)) | BDBM50405399
(CHEMBL2051989)Show SMILES CC[C@H](CC1CNc2nc(N)nc(N)c2N1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C22H29N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,11,14-15,26H,2,7-10H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H5,23,24,25,28,29)/t11-,14?,15+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Chicken liver |
J Med Chem 29: 1056-61 (1986)
Article DOI: 10.1021/jm00156a026
BindingDB Entry DOI: 10.7270/Q2P55MHM |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Lactobacillus casei) | BDBM50405399
(CHEMBL2051989)Show SMILES CC[C@H](CC1CNc2nc(N)nc(N)c2N1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C22H29N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,11,14-15,26H,2,7-10H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H5,23,24,25,28,29)/t11-,14?,15+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Lactobacillus casei ATCC 7469 |
J Med Chem 29: 1056-61 (1986)
Article DOI: 10.1021/jm00156a026
BindingDB Entry DOI: 10.7270/Q2P55MHM |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Lactobacillus casei) | BDBM50405398
(CHEMBL2051991)Show SMILES CC[C@@H](CC1=Nc2c(N)nc(N)nc2NC1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C22H27N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,11,15H,2,7-10H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H5,23,24,25,28,29)/t11-,15-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Lactobacillus casei ATCC 7469 |
J Med Chem 29: 1056-61 (1986)
Article DOI: 10.1021/jm00156a026
BindingDB Entry DOI: 10.7270/Q2P55MHM |
More data for this
Ligand-Target Pair | |
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