BDBM333561 1-(5-tert- butylisoxazol- 3-yl)-3-(3- (6-hydroxy- 7- methoxy- quinazolin- 4- yloxy)phenyl) urea::US9730937, Example 107

SMILES: COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1O

InChI Key: InChIKey=VNEQWXQWPCTJQW-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 = 333561   

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))	BDBM333561 (1-(5-tert- butylisoxazol- 3-yl)-3-(3- (6-hydroxy- ...) Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1O Show InChI InChI=1S/C23H23N5O5/c1-23(2,3)19-11-20(28-33-19)27-22(30)26-13-6-5-7-14(8-13)32-21-15-9-17(29)18(31-4)10-16(15)24-12-25-21/h5-12,29H,1-4H3,(H2,26,27,28,30)	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))	BDBM333561 (1-(5-tert- butylisoxazol- 3-yl)-3-(3- (6-hydroxy- ...) Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1O Show InChI InChI=1S/C23H23N5O5/c1-23(2,3)19-11-20(28-33-19)27-22(30)26-13-6-5-7-14(8-13)32-21-15-9-17(29)18(31-4)10-16(15)24-12-25-21/h5-12,29H,1-4H3,(H2,26,27,28,30)	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))	BDBM333561 (1-(5-tert- butylisoxazol- 3-yl)-3-(3- (6-hydroxy- ...) Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1O Show InChI InChI=1S/C23H23N5O5/c1-23(2,3)19-11-20(28-33-19)27-22(30)26-13-6-5-7-14(8-13)32-21-15-9-17(29)18(31-4)10-16(15)24-12-25-21/h5-12,29H,1-4H3,(H2,26,27,28,30)	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	86	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))	BDBM333561 (1-(5-tert- butylisoxazol- 3-yl)-3-(3- (6-hydroxy- ...) Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1O Show InChI InChI=1S/C23H23N5O5/c1-23(2,3)19-11-20(28-33-19)27-22(30)26-13-6-5-7-14(8-13)32-21-15-9-17(29)18(31-4)10-16(15)24-12-25-21/h5-12,29H,1-4H3,(H2,26,27,28,30)	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	46	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))	BDBM333561 (1-(5-tert- butylisoxazol- 3-yl)-3-(3- (6-hydroxy- ...) Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1O Show InChI InChI=1S/C23H23N5O5/c1-23(2,3)19-11-20(28-33-19)27-22(30)26-13-6-5-7-14(8-13)32-21-15-9-17(29)18(31-4)10-16(15)24-12-25-21/h5-12,29H,1-4H3,(H2,26,27,28,30)	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