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SMILES: CCc1cccc(Nc2nc3cc(Oc4ccnc(NC(C)=O)c4)ccc3n2C)c1

InChI Key: InChIKey=XWYAQRNOHRWIKN-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50026695   

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))	BDBM50026695 (CHEMBL3335372) Show SMILES CCc1cccc(Nc2nc3cc(Oc4ccnc(NC(C)=O)c4)ccc3n2C)c1 Show InChI InChI=1S/C23H23N5O2/c1-4-16-6-5-7-17(12-16)26-23-27-20-13-18(8-9-21(20)28(23)3)30-19-10-11-24-22(14-19)25-15(2)29/h5-14H,4H2,1-3H3,(H,26,27)(H,24,25,29)	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	100	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))	BDBM50026695 (CHEMBL3335372) Show SMILES CCc1cccc(Nc2nc3cc(Oc4ccnc(NC(C)=O)c4)ccc3n2C)c1 Show InChI InChI=1S/C23H23N5O2/c1-4-16-6-5-7-17(12-16)26-23-27-20-13-18(8-9-21(20)28(23)3)30-19-10-11-24-22(14-19)25-15(2)29/h5-14H,4H2,1-3H3,(H,26,27)(H,24,25,29)	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	<0.400	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