BindingDB PrimarySearch

BDBM99471 US8497274, 32

SMILES: Fc1ccc(Oc2ccc3nc(NC(=O)C4CC4)sc3c2C#N)cc1NC(=O)Cc1cccc(c1)C(F)(F)F

InChI Key: InChIKey=OJFKUJDRGJSAQB-UHFFFAOYSA-N

Data: 24 IC50 2 Kd

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 hits for monomerid = 99471
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
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM99471 (US8497274, 32) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	<300	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description MEK phosphorylation inhibition activity.				US Patent US8497274 (2013) BindingDB Entry DOI: 10.7270/Q2BG2MMT
Takeda Pharmaceutical Company Limited US Patent					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 3 (Homo sapiens (Human))	BDBM99471 (US8497274, 32) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a
Ningxia Medical University Curated by ChEMBL					Assay Description Binding affinity to wild-type human partial length RIPK3 (M1 to Q307 residues) expressed in bacterial expression system after 1 hr by quantitative PC...				J Med Chem 62: 6665-6681 (2019) Article DOI: 10.1021/acs.jmedchem.9b00611
Ningxia Medical University Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM99471 (US8497274, 32) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Jilin University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged B-Raf V600E mutant expressed in baculovirus expression system using Z'-LYTE Ser/Thr3 peptide as...				Bioorg Med Chem Lett 26: 2760-2763 (2016) Article DOI: 10.1016/j.bmcl.2016.04.076 BindingDB Entry DOI: 10.7270/Q2J67JTP
Jilin University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 1 (Homo sapiens (Human))	BDBM99471 (US8497274, 32) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MMDB 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
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of C-terminal FLAG-tagged MEKK1 (unknown origin) expressed in baculovirus system using MBP as substrate after 60 mins				J Med Chem 56: 6478-94 (2013) Article DOI: 10.1021/jm400778d BindingDB Entry DOI: 10.7270/Q2W95BPS
Takeda Pharmaceutical Company Limited Curated by ChEMBL					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM99471 (US8497274, 32) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal His-6-tagged Aurora kinase B (unknown origin) expressed in baculovirus system after 60 mins				J Med Chem 56: 6478-94 (2013) Article DOI: 10.1021/jm400778d BindingDB Entry DOI: 10.7270/Q2W95BPS
Takeda Pharmaceutical Company Limited Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM99471 (US8497274, 32) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of CDK2/CycA (unknown origin) using histone H1 as substrate after 20 mins				J Med Chem 56: 6478-94 (2013) Article DOI: 10.1021/jm400778d BindingDB Entry DOI: 10.7270/Q2W95BPS
Takeda Pharmaceutical Company Limited Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human))	BDBM99471 (US8497274, 32) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of CDK1/CycB (unknown origin) using histone H1 as substrate after 20 mins				J Med Chem 56: 6478-94 (2013) Article DOI: 10.1021/jm400778d BindingDB Entry DOI: 10.7270/Q2W95BPS
Takeda Pharmaceutical Company Limited Curated by ChEMBL					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 3 (Homo sapiens (Human))	BDBM99471 (US8497274, 32) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB 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
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of C-terminal FLAG-tagged ERK1 expressed in baculovirus system (unknown origin) using MBP as substrate after 60 mins				J Med Chem 56: 6478-94 (2013) Article DOI: 10.1021/jm400778d BindingDB Entry DOI: 10.7270/Q2W95BPS
Takeda Pharmaceutical Company Limited Curated by ChEMBL					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM99471 (US8497274, 32) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MMDB 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
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of CK1delta (unknown origin) using CK1tide as substrate after 20 mins				J Med Chem 56: 6478-94 (2013) Article DOI: 10.1021/jm400778d BindingDB Entry DOI: 10.7270/Q2W95BPS
Takeda Pharmaceutical Company Limited Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM99471 (US8497274, 32) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of CHK1 (unknown origin) using alpha-casein as substrate after 20 mins				J Med Chem 56: 6478-94 (2013) Article DOI: 10.1021/jm400778d BindingDB Entry DOI: 10.7270/Q2W95BPS
Takeda Pharmaceutical Company Limited Curated by ChEMBL					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM99471 (US8497274, 32) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of C-terminal FLAG-tagged IKK beta (unknown origin) expressed in baculovirus system using IkappaBalpha as substrate after 40 mins				J Med Chem 56: 6478-94 (2013) Article DOI: 10.1021/jm400778d BindingDB Entry DOI: 10.7270/Q2W95BPS
Takeda Pharmaceutical Company Limited Curated by ChEMBL					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM99471 (US8497274, 32) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB 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
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of Insulin receptor (unknown origin) using biotinylated poly-Glu-Tyr (4:1) as substrate preincubated for 5 mins measured after 12 hrs				J Med Chem 56: 6478-94 (2013) Article DOI: 10.1021/jm400778d BindingDB Entry DOI: 10.7270/Q2W95BPS
Takeda Pharmaceutical Company Limited Curated by ChEMBL					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM99471 (US8497274, 32) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB 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
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of c-Met receptor (unknown origin) using biotinylated poly-Glu-Tyr (4:1) as substrate preincubated for 5 mins measured after 12 hrs				J Med Chem 56: 6478-94 (2013) Article DOI: 10.1021/jm400778d BindingDB Entry DOI: 10.7270/Q2W95BPS
Takeda Pharmaceutical Company Limited Curated by ChEMBL					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM99471 (US8497274, 32) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB 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
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal peptide (DYKDDDD)-tagged EGFR (unknown origin) expressed in baculovirus system using biotinylated poly-Glu-Tyr (4:1) as subs...				J Med Chem 56: 6478-94 (2013) Article DOI: 10.1021/jm400778d BindingDB Entry DOI: 10.7270/Q2W95BPS
Takeda Pharmaceutical Company Limited Curated by ChEMBL					More data for this Ligand-Target Pair
Platelet-derived growth factor subunit B (PDGFB) (Homo sapiens (Human))	BDBM99471 (US8497274, 32) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of PDGFR beta (unknown origin) using biotinylated poly-Glu-Tyr (4:1) as substrate preincubated for 5 mins measured after 12 hrs				J Med Chem 56: 6478-94 (2013) Article DOI: 10.1021/jm400778d BindingDB Entry DOI: 10.7270/Q2W95BPS
Takeda Pharmaceutical Company Limited Curated by ChEMBL					More data for this Ligand-Target Pair
Platelet-derived growth factor subunit A (Homo sapiens (Human))	BDBM99471 (US8497274, 32) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of PDGFR alpha (unknown origin) using biotinylated poly-Glu-Tyr (4:1) as substrate preincubated for 5 mins measured after 12 hrs				J Med Chem 56: 6478-94 (2013) Article DOI: 10.1021/jm400778d BindingDB Entry DOI: 10.7270/Q2W95BPS
Takeda Pharmaceutical Company Limited Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM99471 (US8497274, 32) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged wild type BRAF (unknown origin) expressed in baculovirus system using GST-MEK1(K96R) as substrate after 20 mins				J Med Chem 56: 6478-94 (2013) Article DOI: 10.1021/jm400778d BindingDB Entry DOI: 10.7270/Q2W95BPS
Takeda Pharmaceutical Company Limited Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM99471 (US8497274, 32) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...				J Med Chem 60: 180-201 (2017) BindingDB Entry DOI: 10.7270/Q2KW5J9D
The Institute of Cancer Research Curated by ChEMBL					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM99471 (US8497274, 32) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...				J Med Chem 60: 180-201 (2017) BindingDB Entry DOI: 10.7270/Q2KW5J9D
The Institute of Cancer Research Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM99471 (US8497274, 32) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of N-terminal 6x-His-tagged BRAF kinase domain (unknown origin) expressed in baculovirus infected Sf9 insect cells co-expressing mouse p50...				J Med Chem 61: 5034-5046 (2018) Article DOI: 10.1021/acs.jmedchem.8b00499 BindingDB Entry DOI: 10.7270/Q2R49TDJ
University of Pennsylvania Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM99471 (US8497274, 32) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of N-terminal 6x-His-tagged BRAF V600E mutant (unknown origin) expressed in baculovirus infected Sf9 insect cells co-expressing mouse p50c...				J Med Chem 61: 5034-5046 (2018) Article DOI: 10.1021/acs.jmedchem.8b00499 BindingDB Entry DOI: 10.7270/Q2R49TDJ
University of Pennsylvania Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM99471 (US8497274, 32) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged BRAF expressed in baculovirus expression system				ACS Med Chem Lett 9: 1199-1204 (2018) Article DOI: 10.1021/acsmedchemlett.8b00364
The Institute of Cancer Research Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Pirin (Homo sapiens (Human))	BDBM99471 (US8497274, 32) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MMDB 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
The Institute of Cancer Research Curated by ChEMBL					Assay Description Displacement of 6-amino-9-(2-((4-((2-((6-((5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamido)-2-methylphenyl)carbamoyl)quinolin-2-yl)oxy)ethyl)amino)-...				ACS Med Chem Lett 9: 1199-1204 (2018) Article DOI: 10.1021/acsmedchemlett.8b00364
The Institute of Cancer Research Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM99471 (US8497274, 32) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged BRAF V600E mutant expressed in baculovirus expression system				ACS Med Chem Lett 9: 1199-1204 (2018) Article DOI: 10.1021/acsmedchemlett.8b00364
The Institute of Cancer Research Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM99471 (US8497274, 32) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a
Ningxia Medical University Curated by ChEMBL					Assay Description Binding affinity to wild-type human partial length RIPK1 (M1 to K305 residues) expressed in bacterial expression system after 1 hr by quantitative PC...				J Med Chem 62: 6665-6681 (2019) Article DOI: 10.1021/acs.jmedchem.9b00611
Ningxia Medical University Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM99471 (US8497274, 32) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Jilin University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type full length human GST-tagged B-Raf expressed in baculovirus expression system using Z'-LYTE Ser/Thr3 peptide as s...				Bioorg Med Chem Lett 26: 2760-2763 (2016) Article DOI: 10.1016/j.bmcl.2016.04.076 BindingDB Entry DOI: 10.7270/Q2J67JTP
Jilin University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)