null

SMILES: COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cccc(c4)C(C)(C)C#N)c3)c2cc1OC

InChI Key: InChIKey=DWMKODOHNZRMRO-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 333729   

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))	BDBM333729 (1-(3-(2-cyano- propan- 2-yl) phenyl)-3- (3-(6,7- d...) Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cccc(c4)C(C)(C)C#N)c3)c2cc1OC Show InChI InChI=1S/C27H25N5O3S/c1-27(2,15-28)17-7-5-8-18(11-17)31-26(33)32-19-9-6-10-20(12-19)36-25-21-13-23(34-3)24(35-4)14-22(21)29-16-30-25/h5-14,16H,1-4H3,(H2,31,32,33)	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))	BDBM333729 (1-(3-(2-cyano- propan- 2-yl) phenyl)-3- (3-(6,7- d...) Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cccc(c4)C(C)(C)C#N)c3)c2cc1OC Show InChI InChI=1S/C27H25N5O3S/c1-27(2,15-28)17-7-5-8-18(11-17)31-26(33)32-19-9-6-10-20(12-19)36-25-21-13-23(34-3)24(35-4)14-22(21)29-16-30-25/h5-14,16H,1-4H3,(H2,31,32,33)	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))	BDBM333729 (1-(3-(2-cyano- propan- 2-yl) phenyl)-3- (3-(6,7- d...) Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cccc(c4)C(C)(C)C#N)c3)c2cc1OC Show InChI InChI=1S/C27H25N5O3S/c1-27(2,15-28)17-7-5-8-18(11-17)31-26(33)32-19-9-6-10-20(12-19)36-25-21-13-23(34-3)24(35-4)14-22(21)29-16-30-25/h5-14,16H,1-4H3,(H2,31,32,33)	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