BindingDB PrimarySearch

BDBM88120 US10245267, Example 1156::US10709712, Example 1156::US9694016, 1156

SMILES: Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cc(OCCO)nc(c1)N1CCOCC1

InChI Key: InChIKey=UEPXBTCUIIGYCY-UHFFFAOYSA-N

Data: 9 IC50 5 Kd 1 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 88120
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))	BDBM88120 (US10245267, Example 1156 \| US10709712, Example 115...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	0.730	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
NOVARTIS AG US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM88120 (US10245267, Example 1156 \| US10709712, Example 115...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
B-RAF V600E (Homo sapiens (Human))	BDBM88120 (US10245267, Example 1156 \| US10709712, Example 115...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	0.730	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2� final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				Bioorg Med Chem Lett 17: 5115-20 (2007) BindingDB Entry DOI: 10.7270/Q2RB76WP
Bristol-Myers Squibb Company					More data for this Ligand-Target Pair				3D Structure (crystal)
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM88120 (US10245267, Example 1156 \| US10709712, Example 115...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2� final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				Bioorg Med Chem Lett 17: 5115-20 (2007) BindingDB Entry DOI: 10.7270/Q2RB76WP
Bristol-Myers Squibb Company					More data for this Ligand-Target Pair
B-RAF V600E (Homo sapiens (Human))	BDBM88120 (US10245267, Example 1156 \| US10709712, Example 115...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	0.730	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description C-Raf TR refers to a truncated C-Raf protein, a Δ1-324 deletion mutant.C-Raf FL refers to the full-length C-Raf protein.Full length MEK1 with an...				US Patent US10709712 (2020)
NOVARTIS AG US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM88120 (US10245267, Example 1156 \| US10709712, Example 115...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description C-Raf TR refers to a truncated C-Raf protein, a Δ1-324 deletion mutant.C-Raf FL refers to the full-length C-Raf protein.Full length MEK1 with an...				US Patent US10709712 (2020)
NOVARTIS AG US Patent					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM88120 (US10245267, Example 1156 \| US10709712, Example 115...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CRAF in human Calu6 cells assessed as reduction MEK phosphorylation measured after 1 hr by sandwich ELISA				J Med Chem 63: 2013-2027 (2020) Article DOI: 10.1021/acs.jmedchem.9b00161
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM88120 (US10245267, Example 1156 \| US10709712, Example 115...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CRAF Y340E/Y341E mutant (unknown origin) using human MEK1 K97R mutant as substrate pretreated for 30 mins followed by substrate additio...				J Med Chem 63: 2013-2027 (2020) Article DOI: 10.1021/acs.jmedchem.9b00161
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM88120 (US10245267, Example 1156 \| US10709712, Example 115...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of full-length BRAF (unknown origin)				J Med Chem 63: 2013-2027 (2020) Article DOI: 10.1021/acs.jmedchem.9b00161
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM88120 (US10245267, Example 1156 \| US10709712, Example 115...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Binding affinity to wild-type human partial length DDR1 (R565 to V876 residues) expressed in bacterial expression system by Kinomescan method				J Med Chem 63: 2013-2027 (2020) Article DOI: 10.1021/acs.jmedchem.9b00161
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM88120 (US10245267, Example 1156 \| US10709712, Example 115...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Binding affinity to wild-type human partial length DDR2 (V555 to E855 residues) expressed in mammalian expression system by Kinomescan method				J Med Chem 63: 2013-2027 (2020) Article DOI: 10.1021/acs.jmedchem.9b00161
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM88120 (US10245267, Example 1156 \| US10709712, Example 115...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Binding affinity to wild-type human partial length PDGFRB (V582 to Y1009 residues) expressed in bacterial expression system by Kinomescan method				J Med Chem 63: 2013-2027 (2020) Article DOI: 10.1021/acs.jmedchem.9b00161
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM88120 (US10245267, Example 1156 \| US10709712, Example 115...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp method				J Med Chem 63: 2013-2027 (2020) Article DOI: 10.1021/acs.jmedchem.9b00161
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM88120 (US10245267, Example 1156 \| US10709712, Example 115...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Binding affinity to wild-type human partial length CRAF (I330 to T640 residues) expressed in bacterial expression system by Kinomescan method				J Med Chem 63: 2013-2027 (2020) Article DOI: 10.1021/acs.jmedchem.9b00161
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM88120 (US10245267, Example 1156 \| US10709712, Example 115...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Binding affinity to wild-type human partial length BRAF (S429 to E741 residues) expressed in mammalian expression system by Kinomescan method				J Med Chem 63: 2013-2027 (2020) Article DOI: 10.1021/acs.jmedchem.9b00161
					More data for this Ligand-Target Pair				3D Structure (crystal)
C-RAF (Homo sapiens (Human))	BDBM88120 (US10245267, Example 1156 \| US10709712, Example 115...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
NOVARTIS AG US Patent					More data for this Ligand-Target Pair