BDBM333629 1-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl)- 3-(3- methoxyphenyl) urea::US9730937, Example 178

SMILES: COc1cccc(NC(=O)Nc2cccc(Oc3ncnc4cc(OC)c(OC)cc34)c2)c1

InChI Key: InChIKey=ILRHFINBZIHVAO-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 = 333629   

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))	BDBM333629 (1-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl)...) Show SMILES COc1cccc(NC(=O)Nc2cccc(Oc3ncnc4cc(OC)c(OC)cc34)c2)c1 Show InChI InChI=1S/C24H22N4O5/c1-30-17-8-4-6-15(10-17)27-24(29)28-16-7-5-9-18(11-16)33-23-19-12-21(31-2)22(32-3)13-20(19)25-14-26-23/h4-14H,1-3H3,(H2,27,28,29)	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))	BDBM333629 (1-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl)...) Show SMILES COc1cccc(NC(=O)Nc2cccc(Oc3ncnc4cc(OC)c(OC)cc34)c2)c1 Show InChI InChI=1S/C24H22N4O5/c1-30-17-8-4-6-15(10-17)27-24(29)28-16-7-5-9-18(11-16)33-23-19-12-21(31-2)22(32-3)13-20(19)25-14-26-23/h4-14H,1-3H3,(H2,27,28,29)	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	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
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM333629 (1-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl)...) Show SMILES COc1cccc(NC(=O)Nc2cccc(Oc3ncnc4cc(OC)c(OC)cc34)c2)c1 Show InChI InChI=1S/C24H22N4O5/c1-30-17-8-4-6-15(10-17)27-24(29)28-16-7-5-9-18(11-16)33-23-19-12-21(31-2)22(32-3)13-20(19)25-14-26-23/h4-14H,1-3H3,(H2,27,28,29)	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	1.00E+4	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))	BDBM333629 (1-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl)...) Show SMILES COc1cccc(NC(=O)Nc2cccc(Oc3ncnc4cc(OC)c(OC)cc34)c2)c1 Show InChI InChI=1S/C24H22N4O5/c1-30-17-8-4-6-15(10-17)27-24(29)28-16-7-5-9-18(11-16)33-23-19-12-21(31-2)22(32-3)13-20(19)25-14-26-23/h4-14H,1-3H3,(H2,27,28,29)	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	90	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))	BDBM333629 (1-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl)...) Show SMILES COc1cccc(NC(=O)Nc2cccc(Oc3ncnc4cc(OC)c(OC)cc34)c2)c1 Show InChI InChI=1S/C24H22N4O5/c1-30-17-8-4-6-15(10-17)27-24(29)28-16-7-5-9-18(11-16)33-23-19-12-21(31-2)22(32-3)13-20(19)25-14-26-23/h4-14H,1-3H3,(H2,27,28,29)	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