BDBM333679 1-(3-(6- methoxy-7- (2- methoxyethoxy) quinazolin-4- yloxy)phenyl)- 3-(3- (trifluoromethyl) isoxazol- 5-yl)urea::US9730937, Example 229

SMILES: COCCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(no4)C(F)(F)F)c3)c2cc1OC

InChI Key: InChIKey=QPEWNPAKBJXPNF-UHFFFAOYSA-N

Data: 3 Kd

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 3 hits for monomerid = 333679   

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
B-RAF V600E (Homo sapiens (Human))	BDBM333679 (1-(3-(6- methoxy-7- (2- methoxyethoxy) quinazolin-...) Show SMILES COCCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(no4)C(F)(F)F)c3)c2cc1OC Show InChI InChI=1S/C23H20F3N5O6/c1-33-6-7-35-18-10-16-15(9-17(18)34-2)21(28-12-27-16)36-14-5-3-4-13(8-14)29-22(32)30-20-11-19(31-37-20)23(24,25)26/h3-5,8-12H,6-7H2,1-2H3,(H2,29,30,32)	PDB 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))	BDBM333679 (1-(3-(6- methoxy-7- (2- methoxyethoxy) quinazolin-...) Show SMILES COCCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(no4)C(F)(F)F)c3)c2cc1OC Show InChI InChI=1S/C23H20F3N5O6/c1-33-6-7-35-18-10-16-15(9-17(18)34-2)21(28-12-27-16)36-14-5-3-4-13(8-14)29-22(32)30-20-11-19(31-37-20)23(24,25)26/h3-5,8-12H,6-7H2,1-2H3,(H2,29,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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))	BDBM333679 (1-(3-(6- methoxy-7- (2- methoxyethoxy) quinazolin-...) Show SMILES COCCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(no4)C(F)(F)F)c3)c2cc1OC Show InChI InChI=1S/C23H20F3N5O6/c1-33-6-7-35-18-10-16-15(9-17(18)34-2)21(28-12-27-16)36-14-5-3-4-13(8-14)29-22(32)30-20-11-19(31-37-20)23(24,25)26/h3-5,8-12H,6-7H2,1-2H3,(H2,29,30,32)	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	375	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