BDBM50005520 (S)-2-{4-[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimidin-5-yl)-propylamino]-benzoylamino}-pentanedioic acid::2-{4-[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimidin-5-yl)-propylamino]-benzoylamino}-pentanedioic acid::CHEMBL13659
SMILES: Nc1nc(N)c(CCCNc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(=O)[nH]1
InChI Key: InChIKey=CPVRCGLCOADOPV-ZDUSSCGKSA-N
Data: 9 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
AICAR transformylase (Mus musculus) | BDBM50005520 ((S)-2-{4-[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimid...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 9.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wellcome Research Laboratories Curated by ChEMBL | Assay Description Triglutamyl homologue inhibition activity against AICAR formyltransferase was determined against L cell | J Med Chem 33: 561-7 (1990) BindingDB Entry DOI: 10.7270/Q2XW4HS0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glycinamide ribonucleotide formyltransferase (GARFTase) (Homo sapiens (Human)) | BDBM50005520 ((S)-2-{4-[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimid...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wellcome Research Laboratories Curated by ChEMBL | Assay Description Ability to inhibit glycinamide ribonucleotide transformylase (GAR-Tfase) in vitro, using hog liver with (6R)-10-formyl-FH4 as cofactor | J Med Chem 37: 2112-5 (1994) BindingDB Entry DOI: 10.7270/Q2KH0MCF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
AICAR transformylase (Homo sapiens (Human)) | BDBM50005520 ((S)-2-{4-[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimid...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 9.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wellcome Research Laboratories Curated by ChEMBL | Assay Description In vitro inhibitory activity of the compound against MOLT-4 T-cell leukemia cell AICAR transformylase | J Med Chem 35: 1399-410 (1992) BindingDB Entry DOI: 10.7270/Q20R9NBZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
AICAR transformylase (Homo sapiens (Human)) | BDBM50005520 ((S)-2-{4-[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimid...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 9.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wellcome Research Laboratories Curated by ChEMBL | Assay Description Inhibition activity against AICAR formyltransferase determined against MOLT-4 | J Med Chem 33: 561-7 (1990) BindingDB Entry DOI: 10.7270/Q2XW4HS0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
AICAR transformylase (Mus musculus) | BDBM50005520 ((S)-2-{4-[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimid...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Wellcome Research Laboratories Curated by ChEMBL | Assay Description Hexaglutamyl homologue inhibition activity against the AICAR formyltransferase was determined against L cell | J Med Chem 33: 561-7 (1990) BindingDB Entry DOI: 10.7270/Q2XW4HS0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
AICAR transformylase (Mus musculus) | BDBM50005520 ((S)-2-{4-[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimid...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wellcome Research Laboratories Curated by ChEMBL | Assay Description Inhibition activity against AICAR formyltransferase determined against MOLT-4 | J Med Chem 33: 561-7 (1990) BindingDB Entry DOI: 10.7270/Q2XW4HS0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidylate synthase/GAR transformylase/AICAR transformylase (Homo sapiens (Human)) | BDBM50005520 ((S)-2-{4-[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimid...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Wellcome Research Laboratories Curated by ChEMBL | Assay Description Inhibition activity against Glycinamide ribonucleotide transformylase(GAR-TFase) against hog liver | J Med Chem 33: 561-7 (1990) BindingDB Entry DOI: 10.7270/Q2XW4HS0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
AICAR transformylase (Mus musculus) | BDBM50005520 ((S)-2-{4-[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimid...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wellcome Research Laboratories Curated by ChEMBL | Assay Description Inhibition activity against AICAR formyltransferase determined against MOLT-4 | J Med Chem 33: 561-7 (1990) BindingDB Entry DOI: 10.7270/Q2XW4HS0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glycinamide ribonucleotide formyltransferase (GARFTase) (Homo sapiens (Human)) | BDBM50005520 ((S)-2-{4-[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimid...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wellcome Research Laboratories Curated by ChEMBL | Assay Description In vitro inhibition of hog liver GAR transformylase with (6R)-10-formyl-FH4 as cofactor | J Med Chem 35: 1399-410 (1992) BindingDB Entry DOI: 10.7270/Q20R9NBZ | |||||||||||
More data for this Ligand-Target Pair |