null

SMILES: COc1cc2c(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)ncnc2cc1OCCCN1CCS(=O)(=O)CC1

InChI Key: InChIKey=MEBIDHLINXZYDD-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 333706   

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))	BDBM333706 (1-(5-tert-butyl- isoxazol-3- yl)-3-(3-{7- [3-(1,1-...) Show SMILES COc1cc2c(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)ncnc2cc1OCCCN1CCS(=O)(=O)CC1 Show InChI InChI=1S/C30H36N6O7S/c1-30(2,3)26-18-27(35-43-26)34-29(37)33-20-7-5-8-21(15-20)42-28-22-16-24(40-4)25(17-23(22)31-19-32-28)41-12-6-9-36-10-13-44(38,39)14-11-36/h5,7-8,15-19H,6,9-14H2,1-4H3,(H2,33,34,35,37)	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))	BDBM333706 (1-(5-tert-butyl- isoxazol-3- yl)-3-(3-{7- [3-(1,1-...) Show SMILES COc1cc2c(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)ncnc2cc1OCCCN1CCS(=O)(=O)CC1 Show InChI InChI=1S/C30H36N6O7S/c1-30(2,3)26-18-27(35-43-26)34-29(37)33-20-7-5-8-21(15-20)42-28-22-16-24(40-4)25(17-23(22)31-19-32-28)41-12-6-9-36-10-13-44(38,39)14-11-36/h5,7-8,15-19H,6,9-14H2,1-4H3,(H2,33,34,35,37)	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))	BDBM333706 (1-(5-tert-butyl- isoxazol-3- yl)-3-(3-{7- [3-(1,1-...) Show SMILES COc1cc2c(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)ncnc2cc1OCCCN1CCS(=O)(=O)CC1 Show InChI InChI=1S/C30H36N6O7S/c1-30(2,3)26-18-27(35-43-26)34-29(37)33-20-7-5-8-21(15-20)42-28-22-16-24(40-4)25(17-23(22)31-19-32-28)41-12-6-9-36-10-13-44(38,39)14-11-36/h5,7-8,15-19H,6,9-14H2,1-4H3,(H2,33,34,35,37)	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