BindingDB PrimarySearch

BDBM50139604 1-(5-tert-Butyl-isoxazol-3-yl)-3-[4-(pyridin-4-yloxy)-phenyl]-urea::1-(5-tert-butylisoxazol-3-yl)-3-(4-(pyridin-4-yloxy)phenyl)urea::CHEMBL166031

SMILES: CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)no1

InChI Key: InChIKey=XKNAGLMNQADBQE-UHFFFAOYSA-N

Data: 5 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50139604
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50139604 (1-(5-tert-Butyl-isoxazol-3-yl)-3-[4-(pyridin-4-ylo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory activity against human Raf-1 kinase				Bioorg Med Chem Lett 14: 783-6 (2004) BindingDB Entry DOI: 10.7270/Q2TM79JT
Bayer Research Center Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase RIPK2 (Homo sapiens (Human))	BDBM50139604 (1-(5-tert-Butyl-isoxazol-3-yl)-3-[4-(pyridin-4-ylo...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length FLAG-6His-TEV tagged human RIP2 expressed in Sf9 cells assessed as reduction in autophosphorylation pre-incubated for 30 mi...				Bioorg Med Chem 23: 7000-6 (2015) BindingDB Entry DOI: 10.7270/Q26D5VTM
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50139604 (1-(5-tert-Butyl-isoxazol-3-yl)-3-[4-(pyridin-4-ylo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of CRAF				Nat Chem Biol 2: 689-700 (2006) Article DOI: 10.1038/nchembio840 BindingDB Entry DOI: 10.7270/Q23T9HF8
Institute of Cancer Research Curated by ChEMBL					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50139604 (1-(5-tert-Butyl-isoxazol-3-yl)-3-[4-(pyridin-4-ylo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of B-Raf1 (unknown origin)				Eur J Med Chem 44: 1240-9 (2009) Article DOI: 10.1016/j.ejmech.2008.09.016 BindingDB Entry DOI: 10.7270/Q28G8KJ5
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase RIPK2 (Homo sapiens (Human))	BDBM50139604 (1-(5-tert-Butyl-isoxazol-3-yl)-3-[4-(pyridin-4-ylo...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length FLAG-6His-TEV tagged human RIP2 expressed in Sf9 cells by fluorescent polarization assay				Bioorg Med Chem 23: 7000-6 (2015) BindingDB Entry DOI: 10.7270/Q26D5VTM
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)