BDBM50090054 1-(3-Chloro-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine::1-(3-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine::CHEMBL7130
SMILES: CC1(C)N=C(N)N=C(N)N1c1cccc(Cl)c1
InChI Key: InChIKey=AXIUXECRTOGILY-UHFFFAOYSA-N
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 |
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Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum (isolate K1 / Thailand)) | BDBM50090054 (1-(3-Chloro-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology Curated by ChEMBL | Assay Description Binding affinity towards mutant dihydrofolate reductase (N51I+C59R+S108N DHFR) of Plasmodium falciparum | J Med Chem 47: 673-80 (2004) Article DOI: 10.1021/jm030165t BindingDB Entry DOI: 10.7270/Q2ST7P8J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum (isolate K1 / Thailand)) | BDBM50090054 (1-(3-Chloro-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase 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 |
National Center for Genetic Engineering and Biotechnology Curated by ChEMBL | Assay Description Binding affinity towards wild-type dihydrofolate reductase of Plasmodium falciparum. | J Med Chem 47: 673-80 (2004) Article DOI: 10.1021/jm030165t BindingDB Entry DOI: 10.7270/Q2ST7P8J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Lactobacillus casei) | BDBM50090054 (1-(3-Chloro-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL 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 |
TBA Curated by ChEMBL | Assay Description Inhibitory activity against Lactobacillus casei dihydrofolate reductase (DHFR) | J Med Chem 24: 1422-9 (1981) BindingDB Entry DOI: 10.7270/Q2VM4FF9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum) | BDBM50090054 (1-(3-Chloro-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL 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 |
National Center for Genetic Engineering and Biotechnology Curated by ChEMBL | Assay Description Evaluated for inhibition constant (Ki wt) against Wild-type dihydrofolate reductase of Plasmodium falciparum | J Med Chem 43: 2738-44 (2000) BindingDB Entry DOI: 10.7270/Q2P55MRR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum (isolate K1 / Thailand)) | BDBM50090054 (1-(3-Chloro-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Modena e Reggio Emilia Curated by ChEMBL | Assay Description Inhibition constant against Plasmodium falciparum dihydrofolate reductase | J Med Chem 47: 4258-67 (2004) Checked by Author Article DOI: 10.1021/jm040769c BindingDB Entry DOI: 10.7270/Q2HH6JKZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum (isolate K1 / Thailand)) | BDBM50090054 (1-(3-Chloro-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase 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 |
National Center for Genetic Engineering and Biotechnology Curated by ChEMBL | Assay Description Binding affinity towards mutant dihydrofolate reductase (C59R+S108N+I164L DHFR) of Plasmodium falciparum | J Med Chem 47: 673-80 (2004) Article DOI: 10.1021/jm030165t BindingDB Entry DOI: 10.7270/Q2ST7P8J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate Reductase (DHFR) (Escherichia coli) | BDBM50090054 (1-(3-Chloro-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 22.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics Inc. Curated by ChEMBL | Assay Description Inhibition of dihydrofolate reductase from Pneumocystis carinii. | J Med Chem 38: 967-72 (1995) BindingDB Entry DOI: 10.7270/Q2Z039BN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum (isolate K1 / Thailand)) | BDBM50090054 (1-(3-Chloro-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology Curated by ChEMBL | Assay Description Binding affinity towards mutant dihydrofolate reductase (N51I+C59R+S108N+I164L DHFR) of Plasmodium falciparum | J Med Chem 47: 673-80 (2004) Article DOI: 10.1021/jm030165t BindingDB Entry DOI: 10.7270/Q2ST7P8J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Gallus gallus (Chicken)) | BDBM50090054 (1-(3-Chloro-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibitory activity against isolated chicken liver dihydrofolate reductase (DHFR) | J Med Chem 27: 129-43 (1984) BindingDB Entry DOI: 10.7270/Q2TT4S5M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Homo sapiens (Human)) | BDBM50090054 (1-(3-Chloro-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 93.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics Inc. Curated by ChEMBL | Assay Description Inhibition of human dihydrofolate reductase (DHFR) enzyme | J Med Chem 38: 967-72 (1995) BindingDB Entry DOI: 10.7270/Q2Z039BN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Homo sapiens (Human)) | BDBM50090054 (1-(3-Chloro-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dipartimento di Farmacia, Università di Genova, Viale Benedetto XV 3, 16132 Genova, Italy. Electronic address: tonelli@difar.unige.it. Curated by ChEMBL | Assay Description Inhibition of human DHFR using dihydrofolate as substrate after 180 secs by spectrophotometric analysis | Eur J Med Chem 135: 467-478 (2017) Article DOI: 10.1016/j.ejmech.2017.04.070 BindingDB Entry DOI: 10.7270/Q2057JD0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum (isolate K1 / Thailand)) | BDBM50090054 (1-(3-Chloro-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 308 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology Curated by ChEMBL | Assay Description Binding affinity towards mutant dihydrofolate reductase (A16V+S108T DHFR) of Plasmodium falciparum. | J Med Chem 47: 673-80 (2004) Article DOI: 10.1021/jm030165t BindingDB Entry DOI: 10.7270/Q2ST7P8J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (A16V+S108T) (Plasmodium falciparum) | BDBM50090054 (1-(3-Chloro-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,...) | PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology Curated by ChEMBL | Assay Description Inhibition constant (Ki mut) against A16V+S108T Mutant DHFRs of Plasmodium falciparum | J Med Chem 43: 2738-44 (2000) BindingDB Entry DOI: 10.7270/Q2P55MRR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidylate synthase (TS) (Leishmania major) | BDBM50090054 (1-(3-Chloro-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of dihydrofolate reductase (DHFR) from Leishmania major | J Med Chem 30: 1218-24 (1987) Checked by Author BindingDB Entry DOI: 10.7270/Q21V5FJ0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase type 1 (Escherichia coli) | BDBM50090054 (1-(3-Chloro-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of Escherichia coli dihydrofolate reductase. | J Med Chem 28: 1910-6 (1985) BindingDB Entry DOI: 10.7270/Q2G44SH3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Escherichia coli) | BDBM50090054 (1-(3-Chloro-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,...) | MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uniroyal Chemical Co., Inc. Curated by ChEMBL | Assay Description Inhibition constant against binding of Escherichia coli dihydrofolate reductase | J Med Chem 31: 1396-406 (1988) BindingDB Entry DOI: 10.7270/Q2P55QQJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum (isolate K1 / Thailand)) | BDBM50090054 (1-(3-Chloro-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology Curated by ChEMBL | Assay Description In vitro anti-plasmodial activity against Plasmodium falciparum with mutant C59R+S108N (K1CB1) dihydrofolate reductase. | J Med Chem 47: 673-80 (2004) Article DOI: 10.1021/jm030165t BindingDB Entry DOI: 10.7270/Q2ST7P8J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum (isolate K1 / Thailand)) | BDBM50090054 (1-(3-Chloro-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology Curated by ChEMBL | Assay Description In vitro anti-plasmodial activity against Plasmodium falciparum with wild type dihydrofolate reductase (TM4/8.2). | J Med Chem 47: 673-80 (2004) Article DOI: 10.1021/jm030165t BindingDB Entry DOI: 10.7270/Q2ST7P8J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum (isolate K1 / Thailand)) | BDBM50090054 (1-(3-Chloro-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology Curated by ChEMBL | Assay Description In vitro anti-plasmodial activity against Plasmodium falciparum with mutant A16V+S108T (T9/94RC17) dihydrofolate reductase. | J Med Chem 47: 673-80 (2004) Article DOI: 10.1021/jm030165t BindingDB Entry DOI: 10.7270/Q2ST7P8J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum (isolate K1 / Thailand)) | BDBM50090054 (1-(3-Chloro-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 520 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology Curated by ChEMBL | Assay Description In vitro anti-plasmodial activity against Plasmodium falciparum with mutant C59R+S108N+I164L (Csl-2) dihydrofolate reductase. | J Med Chem 47: 673-80 (2004) Article DOI: 10.1021/jm030165t BindingDB Entry DOI: 10.7270/Q2ST7P8J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum (isolate K1 / Thailand)) | BDBM50090054 (1-(3-Chloro-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology Curated by ChEMBL | Assay Description In vitro anti-plasmodial activity against Plasmodium falciparum with mutant N51I+C59R+S108N (W2) dihydrofolate reductase. | J Med Chem 47: 673-80 (2004) Article DOI: 10.1021/jm030165t BindingDB Entry DOI: 10.7270/Q2ST7P8J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 (Plasmodium falciparum (isolate K1 / Thailand)) | BDBM50090054 (1-(3-Chloro-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology Curated by ChEMBL | Assay Description In vitro anti-plasmodial activity against Plasmodium falciparum with mutant CN51I+C59R+S108N+I164L (V1/S) dihydrofolate reductase. | J Med Chem 47: 673-80 (2004) Article DOI: 10.1021/jm030165t BindingDB Entry DOI: 10.7270/Q2ST7P8J | |||||||||||
More data for this Ligand-Target Pair |