BDBM333493 1-(5-tert- butylisoxazol- 3-yl)-3-(3- (6-methoxy- 7-(2- morpholino- ethoxy) quinazolin-4- yloxy)phenyl) urea::US9730937, Example 35

SMILES: COc1cc2c(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)ncnc2cc1OCCN1CCOCC1

InChI Key: InChIKey=GTDRCAMYCRTQHC-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 = 333493   

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))	BDBM333493 (1-(5-tert- butylisoxazol- 3-yl)-3-(3- (6-methoxy- ...) Show SMILES COc1cc2c(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)ncnc2cc1OCCN1CCOCC1 Show InChI InChI=1S/C29H34N6O6/c1-29(2,3)25-17-26(34-41-25)33-28(36)32-19-6-5-7-20(14-19)40-27-21-15-23(37-4)24(16-22(21)30-18-31-27)39-13-10-35-8-11-38-12-9-35/h5-7,14-18H,8-13H2,1-4H3,(H2,32,33,34,36)	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))	BDBM333493 (1-(5-tert- butylisoxazol- 3-yl)-3-(3- (6-methoxy- ...) Show SMILES COc1cc2c(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)ncnc2cc1OCCN1CCOCC1 Show InChI InChI=1S/C29H34N6O6/c1-29(2,3)25-17-26(34-41-25)33-28(36)32-19-6-5-7-20(14-19)40-27-21-15-23(37-4)24(16-22(21)30-18-31-27)39-13-10-35-8-11-38-12-9-35/h5-7,14-18H,8-13H2,1-4H3,(H2,32,33,34,36)	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
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM333493 (1-(5-tert- butylisoxazol- 3-yl)-3-(3- (6-methoxy- ...) Show SMILES COc1cc2c(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)ncnc2cc1OCCN1CCOCC1 Show InChI InChI=1S/C29H34N6O6/c1-29(2,3)25-17-26(34-41-25)33-28(36)32-19-6-5-7-20(14-19)40-27-21-15-23(37-4)24(16-22(21)30-18-31-27)39-13-10-35-8-11-38-12-9-35/h5-7,14-18H,8-13H2,1-4H3,(H2,32,33,34,36)	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	34	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
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM333493 (1-(5-tert- butylisoxazol- 3-yl)-3-(3- (6-methoxy- ...) Show SMILES COc1cc2c(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)ncnc2cc1OCCN1CCOCC1 Show InChI InChI=1S/C29H34N6O6/c1-29(2,3)25-17-26(34-41-25)33-28(36)32-19-6-5-7-20(14-19)40-27-21-15-23(37-4)24(16-22(21)30-18-31-27)39-13-10-35-8-11-38-12-9-35/h5-7,14-18H,8-13H2,1-4H3,(H2,32,33,34,36)	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	165	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
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM333493 (1-(5-tert- butylisoxazol- 3-yl)-3-(3- (6-methoxy- ...) Show SMILES COc1cc2c(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)ncnc2cc1OCCN1CCOCC1 Show InChI InChI=1S/C29H34N6O6/c1-29(2,3)25-17-26(34-41-25)33-28(36)32-19-6-5-7-20(14-19)40-27-21-15-23(37-4)24(16-22(21)30-18-31-27)39-13-10-35-8-11-38-12-9-35/h5-7,14-18H,8-13H2,1-4H3,(H2,32,33,34,36)	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	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