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SMILES: COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(ccn4)C(F)(F)F)c3)c2cc1OC

InChI Key: InChIKey=KRQRQSNNIMMECL-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 333593   

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 [V600E] (Homo sapiens (Human))	BDBM333593 (1-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl)...) Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(ccn4)C(F)(F)F)c3)c2cc1OC Show InChI InChI=1S/C23H18F3N5O4/c1-33-18-10-16-17(11-19(18)34-2)28-12-29-21(16)35-15-5-3-4-14(9-15)30-22(32)31-20-8-13(6-7-27-20)23(24,25)26/h3-12H,1-2H3,(H2,27,30,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	<250	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM333593 (1-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl)...) Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(ccn4)C(F)(F)F)c3)c2cc1OC Show InChI InChI=1S/C23H18F3N5O4/c1-33-18-10-16-17(11-19(18)34-2)28-12-29-21(16)35-15-5-3-4-14(9-15)30-22(32)31-20-8-13(6-7-27-20)23(24,25)26/h3-12H,1-2H3,(H2,27,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	<250	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM333593 (1-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl)...) Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(ccn4)C(F)(F)F)c3)c2cc1OC Show InChI InChI=1S/C23H18F3N5O4/c1-33-18-10-16-17(11-19(18)34-2)28-12-29-21(16)35-15-5-3-4-14(9-15)30-22(32)31-20-8-13(6-7-27-20)23(24,25)26/h3-12H,1-2H3,(H2,27,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	<250	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair