BDBM333613 1-[5-(1,3- difluoro-2- methylpropan-2- yl)isoxazol- 3-yl]-3-[3- (6,7- dimethoxy- quinazolin- 4- yloxy)phenyl] urea::US9730937, Example 162

SMILES: COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(CF)CF)c3)c2cc1OC

InChI Key: InChIKey=KJVUAWFWZBUEDN-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 = 333613   

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))	BDBM333613 (1-[5-(1,3- difluoro-2- methylpropan-2- yl)isoxazol...) Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(CF)CF)c3)c2cc1OC Show InChI InChI=1S/C24H23F2N5O5/c1-24(11-25,12-26)20-10-21(31-36-20)30-23(32)29-14-5-4-6-15(7-14)35-22-16-8-18(33-2)19(34-3)9-17(16)27-13-28-22/h4-10,13H,11-12H2,1-3H3,(H2,29,30,31,32)	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))	BDBM333613 (1-[5-(1,3- difluoro-2- methylpropan-2- yl)isoxazol...) Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(CF)CF)c3)c2cc1OC Show InChI InChI=1S/C24H23F2N5O5/c1-24(11-25,12-26)20-10-21(31-36-20)30-23(32)29-14-5-4-6-15(7-14)35-22-16-8-18(33-2)19(34-3)9-17(16)27-13-28-22/h4-10,13H,11-12H2,1-3H3,(H2,29,30,31,32)	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))	BDBM333613 (1-[5-(1,3- difluoro-2- methylpropan-2- yl)isoxazol...) Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(CF)CF)c3)c2cc1OC Show InChI InChI=1S/C24H23F2N5O5/c1-24(11-25,12-26)20-10-21(31-36-20)30-23(32)29-14-5-4-6-15(7-14)35-22-16-8-18(33-2)19(34-3)9-17(16)27-13-28-22/h4-10,13H,11-12H2,1-3H3,(H2,29,30,31,32)	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	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