BDBM50118389 CHEMBL3612641
SMILES: CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]cnc23)c1
InChI Key: InChIKey=ONVDHHGLDDAZRU-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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TNNI3K (Homo sapiens (Human)) | BDBM50118389 (CHEMBL3612641) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | n/a | 111 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Binding affinity to TNNI3K (unknown origin) | J Med Chem 58: 7431-48 (2015) BindingDB Entry DOI: 10.7270/Q2FT8NV1 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
TNNI3K (Homo sapiens (Human)) | BDBM50118389 (CHEMBL3612641) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of Purine nucleoside Phosphorylase from calf spleen at 50 mM PO4 | J Med Chem 61: 3076-3088 (2018) Article DOI: 10.1021/acs.jmedchem.8b00125 BindingDB Entry DOI: 10.7270/Q2Z3221C | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Serine/threonine-protein kinase B-raf (Homo sapiens (Human)) | BDBM50118389 (CHEMBL3612641) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of His6-tagged full length BRAF V600E mutant (2 to 766 residues) (unknown origin) expressed in Baculovirus expression system by BRAMA meth... | J Med Chem 58: 7431-48 (2015) BindingDB Entry DOI: 10.7270/Q2FT8NV1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
TNNI3K (Homo sapiens (Human)) | BDBM50118389 (CHEMBL3612641) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo... | J Med Chem 58: 7431-48 (2015) BindingDB Entry DOI: 10.7270/Q2FT8NV1 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |