BDBM6645 4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}benzoic acid::CHEMBL341824::Pteridine deriv. 12
SMILES: Nc1nc2ncc(CNc3ccc(cc3)C(O)=O)nc2c(=O)[nH]1
InChI Key: InChIKey=JOAQINSXLLMRCV-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human)) | BDBM6645 (4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}b...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | 7.4 | 30 |
Banyu Tsukuba Research Institute | Assay Description In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d... | J Med Chem 44: 4615-27 (2001) Article DOI: 10.1021/jm0103256 BindingDB Entry DOI: 10.7270/Q2736P3Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ricin (Ricinus communis) | BDBM6645 (4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}b...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 6.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Toho University Curated by ChEMBL | Assay Description Inhibition of Ricin toxin A | J Med Chem 56: 320-9 (2013) Article DOI: 10.1021/jm3016393 BindingDB Entry DOI: 10.7270/Q2SN0B81 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Ricin (Ricinus communis) | BDBM6645 (4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}b...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 6.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Texas Curated by ChEMBL | Assay Description Inhibitory concentration against Enzymatic A chain of ricin (RTA) using Artemia salina ribosomes | J Med Chem 45: 90-8 (2001) BindingDB Entry DOI: 10.7270/Q2F190F7 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Ricin (Ricinus communis) | BDBM6645 (4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}b...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 6.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Texas at Austin Curated by ChEMBL | Assay Description Inhibition of castor seed ricin A chain translation degradation activity in rabbit reticulocyte lysate after 90 mins by luciferase-based luminometer ... | Eur J Med Chem 46: 3608-15 (2011) Article DOI: 10.1016/j.ejmech.2011.05.025 BindingDB Entry DOI: 10.7270/Q2D21Z00 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) |