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SMILES: COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C4CCCC4)c3)c2cc1OC

InChI Key: InChIKey=WHQDMUQAOKWQGJ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 333587   

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))	BDBM333587 (1-(5- cyclopentyl- isoxazol- 3-yl)-3-(3-(6,7- dime...) Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C4CCCC4)c3)c2cc1OC Show InChI InChI=1S/C25H25N5O5/c1-32-21-11-18-19(12-22(21)33-2)26-14-27-24(18)34-17-9-5-8-16(10-17)28-25(31)29-23-13-20(35-30-23)15-6-3-4-7-15/h5,8-15H,3-4,6-7H2,1-2H3,(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))	BDBM333587 (1-(5- cyclopentyl- isoxazol- 3-yl)-3-(3-(6,7- dime...) Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C4CCCC4)c3)c2cc1OC Show InChI InChI=1S/C25H25N5O5/c1-32-21-11-18-19(12-22(21)33-2)26-14-27-24(18)34-17-9-5-8-16(10-17)28-25(31)29-23-13-20(35-30-23)15-6-3-4-7-15/h5,8-15H,3-4,6-7H2,1-2H3,(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))	BDBM333587 (1-(5- cyclopentyl- isoxazol- 3-yl)-3-(3-(6,7- dime...) Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C4CCCC4)c3)c2cc1OC Show InChI InChI=1S/C25H25N5O5/c1-32-21-11-18-19(12-22(21)33-2)26-14-27-24(18)34-17-9-5-8-16(10-17)28-25(31)29-23-13-20(35-30-23)15-6-3-4-7-15/h5,8-15H,3-4,6-7H2,1-2H3,(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