null

SMILES: COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(C)(C)C)c3C)c2cc1OC

InChI Key: InChIKey=FEJRITRFMRJINW-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 333739   

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))	BDBM333739 (1-(3-tert- butyl-1- phenyl-1H- pyrazol- 5-yl)-3-(3...) Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(C)(C)C)c3C)c2cc1OC Show InChI InChI=1S/C31H32N6O4/c1-19-22(34-30(38)35-28-17-27(31(2,3)4)36-37(28)20-11-8-7-9-12-20)13-10-14-24(19)41-29-21-15-25(39-5)26(40-6)16-23(21)32-18-33-29/h7-18H,1-6H3,(H2,34,35,38)	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))	BDBM333739 (1-(3-tert- butyl-1- phenyl-1H- pyrazol- 5-yl)-3-(3...) Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(C)(C)C)c3C)c2cc1OC Show InChI InChI=1S/C31H32N6O4/c1-19-22(34-30(38)35-28-17-27(31(2,3)4)36-37(28)20-11-8-7-9-12-20)13-10-14-24(19)41-29-21-15-25(39-5)26(40-6)16-23(21)32-18-33-29/h7-18H,1-6H3,(H2,34,35,38)	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))	BDBM333739 (1-(3-tert- butyl-1- phenyl-1H- pyrazol- 5-yl)-3-(3...) Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(C)(C)C)c3C)c2cc1OC Show InChI InChI=1S/C31H32N6O4/c1-19-22(34-30(38)35-28-17-27(31(2,3)4)36-37(28)20-11-8-7-9-12-20)13-10-14-24(19)41-29-21-15-25(39-5)26(40-6)16-23(21)32-18-33-29/h7-18H,1-6H3,(H2,34,35,38)	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