BDBM50507719 CHEMBL4439157

SMILES: Cc1ccc(cc1NC(=O)C1(CC1)c1ncnc2[nH]ccc12)C(=O)Nc1ccc(OCCCN2CCOCC2)c(c1)C(F)(F)F

InChI Key: InChIKey=RXLHCIWVMZDCTH-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50507719   

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))	BDBM50507719 (CHEMBL4439157) Show SMILES Cc1ccc(cc1NC(=O)C1(CC1)c1ncnc2[nH]ccc12)C(=O)Nc1ccc(OCCCN2CCOCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C32H33F3N6O4/c1-20-3-4-21(17-25(20)40-30(43)31(8-9-31)27-23-7-10-36-28(23)38-19-37-27)29(42)39-22-5-6-26(24(18-22)32(33,34)35)45-14-2-11-41-12-15-44-16-13-41/h3-7,10,17-19H,2,8-9,11-16H2,1H3,(H,39,42)(H,40,43)(H,36,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human GST-tagged BRAF V600E mutant (416 to 766 residues) using human full length 6His-tagged MEK1 (K97R) as substrate preincubated for ...				Eur J Med Chem 163: 243-255 (2019) Article DOI: 10.1016/j.ejmech.2018.11.033
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