null

SMILES: COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(no4)C(C)(C)F)c3)c2cc1O

InChI Key: InChIKey=YTLFNRDEFXTLRR-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 333708   

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))	BDBM333708 (1-(3-(2- fluoropropan-2- yl)isoxazol-5- yl)-3- (3-...) Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(no4)C(C)(C)F)c3)c2cc1O Show InChI InChI=1S/C22H20FN5O5/c1-22(2,23)18-10-19(33-28-18)27-21(30)26-12-5-4-6-13(7-12)32-20-14-8-16(29)17(31-3)9-15(14)24-11-25-20/h4-11,29H,1-3H3,(H2,26,27,30)	PDB UniProtKB/SwissProt 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
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM333708 (1-(3-(2- fluoropropan-2- yl)isoxazol-5- yl)-3- (3-...) Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(no4)C(C)(C)F)c3)c2cc1O Show InChI InChI=1S/C22H20FN5O5/c1-22(2,23)18-10-19(33-28-18)27-21(30)26-12-5-4-6-13(7-12)32-20-14-8-16(29)17(31-3)9-15(14)24-11-25-20/h4-11,29H,1-3H3,(H2,26,27,30)	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	<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))	BDBM333708 (1-(3-(2- fluoropropan-2- yl)isoxazol-5- yl)-3- (3-...) Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(no4)C(C)(C)F)c3)c2cc1O Show InChI InChI=1S/C22H20FN5O5/c1-22(2,23)18-10-19(33-28-18)27-21(30)26-12-5-4-6-13(7-12)32-20-14-8-16(29)17(31-3)9-15(14)24-11-25-20/h4-11,29H,1-3H3,(H2,26,27,30)	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	<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