BDBM50513878 CHEMBL4542865
SMILES: COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc(Br)c2)c1F
InChI Key: InChIKey=XBRQXNKVCFFZSD-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Serine/threonine-protein kinase B-raf (Homo sapiens (Human)) | BDBM50513878 (CHEMBL4542865) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 272 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University Curated by ChEMBL | Assay Description Inhibition of recombinant human B-RAF V600E mutant using Ser/Thr3 as substrate after 1 hr by FRET-based Z'-Lyte assay | J Med Chem 63: 2114-2130 (2020) Article DOI: 10.1021/acs.jmedchem.9b00664 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mixed lineage kinase 7 (Homo sapiens (Human)) | BDBM50513878 (CHEMBL4542865) | PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University Curated by ChEMBL | Assay Description Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after... | J Med Chem 63: 2114-2130 (2020) Article DOI: 10.1021/acs.jmedchem.9b00664 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |