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SMILES: COCCOc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C(C)C)c3)c2cc1OC

InChI Key: InChIKey=YHESXPSYIJUJKS-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 333682   

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))	BDBM333682 (1-(5- isopropylisoxazol- 3-yl)- 3-(3-(6- methoxy-7...) Show SMILES COCCOc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C(C)C)c3)c2cc1OC Show InChI InChI=1S/C25H27N5O5S/c1-15(2)20-13-23(30-35-20)29-25(31)28-16-6-5-7-17(10-16)36-24-18-11-21(33-4)22(34-9-8-32-3)12-19(18)26-14-27-24/h5-7,10-15H,8-9H2,1-4H3,(H2,28,29,30,31)	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))	BDBM333682 (1-(5- isopropylisoxazol- 3-yl)- 3-(3-(6- methoxy-7...) Show SMILES COCCOc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C(C)C)c3)c2cc1OC Show InChI InChI=1S/C25H27N5O5S/c1-15(2)20-13-23(30-35-20)29-25(31)28-16-6-5-7-17(10-16)36-24-18-11-21(33-4)22(34-9-8-32-3)12-19(18)26-14-27-24/h5-7,10-15H,8-9H2,1-4H3,(H2,28,29,30,31)	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))	BDBM333682 (1-(5- isopropylisoxazol- 3-yl)- 3-(3-(6- methoxy-7...) Show SMILES COCCOc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C(C)C)c3)c2cc1OC Show InChI InChI=1S/C25H27N5O5S/c1-15(2)20-13-23(30-35-20)29-25(31)28-16-6-5-7-17(10-16)36-24-18-11-21(33-4)22(34-9-8-32-3)12-19(18)26-14-27-24/h5-7,10-15H,8-9H2,1-4H3,(H2,28,29,30,31)	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