null

SMILES: COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(F)(F)F)c3)c2cc1OC

InChI Key: InChIKey=CWXCXGARHRUPMC-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 333643   

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
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM333643 (1-[3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...) Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(F)(F)F)c3)c2cc1OC Show InChI InChI=1S/C27H21F3N6O3S/c1-38-21-12-19-20(13-22(21)39-2)31-15-32-25(19)40-18-10-6-7-16(11-18)33-26(37)34-24-14-23(27(28,29)30)35-36(24)17-8-4-3-5-9-17/h3-15H,1-2H3,(H2,33,34,37)	PDB UniProtKB/SwissProt 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))	BDBM333643 (1-[3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...) Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(F)(F)F)c3)c2cc1OC Show InChI InChI=1S/C27H21F3N6O3S/c1-38-21-12-19-20(13-22(21)39-2)31-15-32-25(19)40-18-10-6-7-16(11-18)33-26(37)34-24-14-23(27(28,29)30)35-36(24)17-8-4-3-5-9-17/h3-15H,1-2H3,(H2,33,34,37)	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
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM333643 (1-[3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...) Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(F)(F)F)c3)c2cc1OC Show InChI InChI=1S/C27H21F3N6O3S/c1-38-21-12-19-20(13-22(21)39-2)31-15-32-25(19)40-18-10-6-7-16(11-18)33-26(37)34-24-14-23(27(28,29)30)35-36(24)17-8-4-3-5-9-17/h3-15H,1-2H3,(H2,33,34,37)	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 [V600E] (Homo sapiens (Human))	BDBM333643 (1-[3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...) Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(F)(F)F)c3)c2cc1OC Show InChI InChI=1S/C27H21F3N6O3S/c1-38-21-12-19-20(13-22(21)39-2)31-15-32-25(19)40-18-10-6-7-16(11-18)33-26(37)34-24-14-23(27(28,29)30)35-36(24)17-8-4-3-5-9-17/h3-15H,1-2H3,(H2,33,34,37)	PDB UniProtKB/SwissProt 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))	BDBM333643 (1-[3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...) Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(F)(F)F)c3)c2cc1OC Show InChI InChI=1S/C27H21F3N6O3S/c1-38-21-12-19-20(13-22(21)39-2)31-15-32-25(19)40-18-10-6-7-16(11-18)33-26(37)34-24-14-23(27(28,29)30)35-36(24)17-8-4-3-5-9-17/h3-15H,1-2H3,(H2,33,34,37)	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
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM333643 (1-[3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...) Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(F)(F)F)c3)c2cc1OC Show InChI InChI=1S/C27H21F3N6O3S/c1-38-21-12-19-20(13-22(21)39-2)31-15-32-25(19)40-18-10-6-7-16(11-18)33-26(37)34-24-14-23(27(28,29)30)35-36(24)17-8-4-3-5-9-17/h3-15H,1-2H3,(H2,33,34,37)	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