null

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

InChI Key: InChIKey=ROTKIWQMMHTKON-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 333647   

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))	BDBM333647 (1-[3-(1,3- difluoro-2- methylpropan- 2-yl)-1- phen...) Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(C)(CF)CF)c3)c2cc1OC Show InChI InChI=1S/C30H28F2N6O3S/c1-30(16-31,17-32)26-15-27(38(37-26)20-9-5-4-6-10-20)36-29(39)35-19-8-7-11-21(12-19)42-28-22-13-24(40-2)25(41-3)14-23(22)33-18-34-28/h4-15,18H,16-17H2,1-3H3,(H2,35,36,39)	PDB UniProtKB/SwissProt 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))	BDBM333647 (1-[3-(1,3- difluoro-2- methylpropan- 2-yl)-1- phen...) Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(C)(CF)CF)c3)c2cc1OC Show InChI InChI=1S/C30H28F2N6O3S/c1-30(16-31,17-32)26-15-27(38(37-26)20-9-5-4-6-10-20)36-29(39)35-19-8-7-11-21(12-19)42-28-22-13-24(40-2)25(41-3)14-23(22)33-18-34-28/h4-15,18H,16-17H2,1-3H3,(H2,35,36,39)	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 (Homo sapiens (Human))	BDBM333647 (1-[3-(1,3- difluoro-2- methylpropan- 2-yl)-1- phen...) Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(C)(CF)CF)c3)c2cc1OC Show InChI InChI=1S/C30H28F2N6O3S/c1-30(16-31,17-32)26-15-27(38(37-26)20-9-5-4-6-10-20)36-29(39)35-19-8-7-11-21(12-19)42-28-22-13-24(40-2)25(41-3)14-23(22)33-18-34-28/h4-15,18H,16-17H2,1-3H3,(H2,35,36,39)	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