BDBM50026692 CHEMBL3335381

SMILES: CC(=O)Nc1cc(Oc2ccc3n(C)c(Nc4cc(ccc4F)C(F)(F)F)nc3c2)ccn1

InChI Key: InChIKey=ZWEATXDGZUTATR-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 2 hits for monomerid = 50026692   

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))	BDBM50026692 (CHEMBL3335381) Show SMILES CC(=O)Nc1cc(Oc2ccc3n(C)c(Nc4cc(ccc4F)C(F)(F)F)nc3c2)ccn1 Show InChI InChI=1S/C22H17F4N5O2/c1-12(32)28-20-11-15(7-8-27-20)33-14-4-6-19-18(10-14)30-21(31(19)2)29-17-9-13(22(24,25)26)3-5-16(17)23/h3-11H,1-2H3,(H,29,30)(H,27,28,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	90	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of BRAF (unknown origin)-mediated ERK phosphorylation by cell-based assay				ACS Med Chem Lett 5: 989-92 (2014) Article DOI: 10.1021/ml5002272 BindingDB Entry DOI: 10.7270/Q2RN39FP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50026692 (CHEMBL3335381) Show SMILES CC(=O)Nc1cc(Oc2ccc3n(C)c(Nc4cc(ccc4F)C(F)(F)F)nc3c2)ccn1 Show InChI InChI=1S/C22H17F4N5O2/c1-12(32)28-20-11-15(7-8-27-20)33-14-4-6-19-18(10-14)30-21(31(19)2)29-17-9-13(22(24,25)26)3-5-16(17)23/h3-11H,1-2H3,(H,29,30)(H,27,28,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of BRAF V600E mutant (unknown origin)				ACS Med Chem Lett 5: 989-92 (2014) Article DOI: 10.1021/ml5002272 BindingDB Entry DOI: 10.7270/Q2RN39FP
					More data for this Ligand-Target Pair