BindingDB PrimarySearch

BDBM333444 1-(5-tert- Butylisoxazol- 3-yl)-3-{3- [6-methoxy- 7-(2- methoxy- quinazolin- 4-yloxy]phenyl} urea hydrochloride::US9730937, Example 7

SMILES: COCCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1OC

InChI Key: InChIKey=HUPBPZKRSLMDLD-UHFFFAOYSA-N

Data: 1 IC50 4 Kd

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 333444
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
B-RAF V600E (Homo sapiens (Human))	BDBM333444 (1-(5-tert- Butylisoxazol- 3-yl)-3-{3- [6-methoxy- ...) Show SMILES Show InChI	PDB 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
AMBIT BIOSCIENCES CORPORATION US Patent					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM333444 (1-(5-tert- Butylisoxazol- 3-yl)-3-{3- [6-methoxy- ...) Show SMILES Show InChI	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	375	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
AMBIT BIOSCIENCES CORPORATION US Patent					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM333444 (1-(5-tert- Butylisoxazol- 3-yl)-3-{3- [6-methoxy- ...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Inhibition of BRAF V600E mutant-dependent MEK phosphorylation in A375 cells				Bioorg Med Chem Lett 21: 5342-6 (2011) Article DOI: 10.1016/j.bmcl.2011.07.019 BindingDB Entry DOI: 10.7270/Q24T6N6Z
Ambit Biosciences Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM333444 (1-(5-tert- Butylisoxazol- 3-yl)-3-{3- [6-methoxy- ...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to BRAF V600E mutant				Bioorg Med Chem Lett 21: 5342-6 (2011) Article DOI: 10.1016/j.bmcl.2011.07.019 BindingDB Entry DOI: 10.7270/Q24T6N6Z
Ambit Biosciences Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM333444 (1-(5-tert- Butylisoxazol- 3-yl)-3-{3- [6-methoxy- ...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	375	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
AMBIT BIOSCIENCES CORPORATION US Patent					More data for this Ligand-Target Pair