BDBM333469 1-(5-tert- butylisoxazol- 3-yl)-3-(3- (6-ethoxy-7- methoxy- quinazolin- 4-yloxy)phenyl) urea::US9730937, Example 11

SMILES: CCOc1cc2c(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)ncnc2cc1OC

InChI Key: InChIKey=AKMAIIKLSOGYGK-UHFFFAOYSA-N

Data: 1 IC50  4 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 5 hits for monomerid = 333469   

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))	BDBM333469 (1-(5-tert- butylisoxazol- 3-yl)-3-(3- (6-ethoxy-7-...) Show SMILES CCOc1cc2c(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)ncnc2cc1OC Show InChI InChI=1S/C25H27N5O5/c1-6-33-20-11-17-18(12-19(20)32-5)26-14-27-23(17)34-16-9-7-8-15(10-16)28-24(31)29-22-13-21(35-30-22)25(2,3)4/h7-14H,6H2,1-5H3,(H2,28,29,30,31)	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
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM333469 (1-(5-tert- butylisoxazol- 3-yl)-3-(3- (6-ethoxy-7-...) Show SMILES CCOc1cc2c(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)ncnc2cc1OC Show InChI InChI=1S/C25H27N5O5/c1-6-33-20-11-17-18(12-19(20)32-5)26-14-27-23(17)34-16-9-7-8-15(10-16)28-24(31)29-22-13-21(35-30-22)25(2,3)4/h7-14H,6H2,1-5H3,(H2,28,29,30,31)	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	>1.00E+3	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))	BDBM333469 (1-(5-tert- butylisoxazol- 3-yl)-3-(3- (6-ethoxy-7-...) Show SMILES CCOc1cc2c(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)ncnc2cc1OC Show InChI InChI=1S/C25H27N5O5/c1-6-33-20-11-17-18(12-19(20)32-5)26-14-27-23(17)34-16-9-7-8-15(10-16)28-24(31)29-22-13-21(35-30-22)25(2,3)4/h7-14H,6H2,1-5H3,(H2,28,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Inhibition of BRAF V600E mutant-dependent MEK phosphorylation in A375 cells				Bioorg Med Chem Lett 21: 5342-6 (2011) Article DOI: 10.1016/j.bmcl.2011.07.019 BindingDB Entry DOI: 10.7270/Q24T6N6Z
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM333469 (1-(5-tert- butylisoxazol- 3-yl)-3-(3- (6-ethoxy-7-...) Show SMILES CCOc1cc2c(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)ncnc2cc1OC Show InChI InChI=1S/C25H27N5O5/c1-6-33-20-11-17-18(12-19(20)32-5)26-14-27-23(17)34-16-9-7-8-15(10-16)28-24(31)29-22-13-21(35-30-22)25(2,3)4/h7-14H,6H2,1-5H3,(H2,28,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to BRAF V600E mutant				Bioorg Med Chem Lett 21: 5342-6 (2011) Article DOI: 10.1016/j.bmcl.2011.07.019 BindingDB Entry DOI: 10.7270/Q24T6N6Z
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM333469 (1-(5-tert- butylisoxazol- 3-yl)-3-(3- (6-ethoxy-7-...) Show SMILES CCOc1cc2c(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)ncnc2cc1OC Show InChI InChI=1S/C25H27N5O5/c1-6-33-20-11-17-18(12-19(20)32-5)26-14-27-23(17)34-16-9-7-8-15(10-16)28-24(31)29-22-13-21(35-30-22)25(2,3)4/h7-14H,6H2,1-5H3,(H2,28,29,30,31)	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	750	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