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BDBM50003896 (DDATHF) 5,10-Dideazatetrahydrofolic acid2-{4-[2-(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid::2-{(S)-4-[2-(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid::2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid::2-{4-[2-(2-Amino-4-hydroxy-5,6,7,8-tetrahydro-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid::2-{4-[2-(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid::CHEMBL170101
SMILES: Nc1nc2NCC(CCc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)Cc2c(=O)[nH]1
InChI Key: InChIKey=ZUQBAQVRAURMCL-UHFFFAOYSA-N
| Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Bifunctional purine biosynthesis protein ATIC (Human) | BDBM50003896![]() ((DDATHF) 5,10-Dideazatetrahydrofolic acid2-{4-[2-(...) | GoogleScholar | UniChem | n/a | n/a | 1.30E+5 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Trifunctional purine biosynthetic protein adenosine-3 (Human) | BDBM50003896![]() ((DDATHF) 5,10-Dideazatetrahydrofolic acid2-{4-[2-(...) | GoogleScholar | UniChem | n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Thymidylate synthase (Lactobacillus casei) | BDBM50003896![]() ((DDATHF) 5,10-Dideazatetrahydrofolic acid2-{4-[2-(...) | GoogleScholar | UniChem | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Dihydrofolate reductase (Lactobacillus casei) | BDBM50003896![]() ((DDATHF) 5,10-Dideazatetrahydrofolic acid2-{4-[2-(...) | GoogleScholar | UniChem | n/a | n/a | 5.60E+5 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Thymidylate synthase (Mouse) | BDBM50003896![]() ((DDATHF) 5,10-Dideazatetrahydrofolic acid2-{4-[2-(...) | GoogleScholar | UniChem | 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Trifunctional purine biosynthetic protein adenosine-3 (Mouse) | BDBM50003896![]() ((DDATHF) 5,10-Dideazatetrahydrofolic acid2-{4-[2-(...) | GoogleScholar | UniChem | 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||