Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'RAF proto-oncogene serine/threonine-protein kinase' and Ligand = 'BDBM333730'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM333730 (1-(3-(2-cyano- propan- 2- yl)phenyl)- 3-(3- (6-met...) Show SMILES COCCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4cccc(c4)C(C)(C)C#N)c3)c2cc1OC Show InChI InChI=1S/C29H29N5O5/c1-29(2,17-30)19-7-5-8-20(13-19)33-28(35)34-21-9-6-10-22(14-21)39-27-23-15-25(37-4)26(38-12-11-36-3)16-24(23)31-18-32-27/h5-10,13-16,18H,11-12H2,1-4H3,(H2,33,34,35)	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
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM333730 (1-(3-(2-cyano- propan- 2- yl)phenyl)- 3-(3- (6-met...) Show SMILES COCCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4cccc(c4)C(C)(C)C#N)c3)c2cc1OC Show InChI InChI=1S/C29H29N5O5/c1-29(2,17-30)19-7-5-8-20(13-19)33-28(35)34-21-9-6-10-22(14-21)39-27-23-15-25(37-4)26(38-12-11-36-3)16-24(23)31-18-32-27/h5-10,13-16,18H,11-12H2,1-4H3,(H2,33,34,35)	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