BindingDB PrimarySearch

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SMILES: NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(F)cc2F)cc1)C1CCCN(C1)C#N

InChI Key: InChIKey=SQFDBQCBXUWICP-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 377731
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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377731 (5-amino-1-(1-cyanopiperidin-3-yl)-3-[4-(2,4-difluo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	2.18	n/a	n/a	n/a	n/a	n/a	n/a
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
Institut Claudius Regaud					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377731 (5-amino-1-(1-cyanopiperidin-3-yl)-3-[4-(2,4-difluo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	17.3	n/a	n/a	n/a	n/a	n/a	n/a
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
Institut Claudius Regaud					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377731 (5-amino-1-(1-cyanopiperidin-3-yl)-3-[4-(2,4-difluo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
Institut Claudius Regaud					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM377731 (5-amino-1-(1-cyanopiperidin-3-yl)-3-[4-(2,4-difluo...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid PDB UniChem	US Patent	n/a	n/a	1.68E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description EGFR: TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 20 μM ATP, 100 nM peptide subs...				US Patent US10815213 (2020)
Pfizer Inc. US Patent					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377731 (5-amino-1-(1-cyanopiperidin-3-yl)-3-[4-(2,4-difluo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	2.18	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description BTK: TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide p...				US Patent US10815213 (2020)
Pfizer Inc. US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377731 (5-amino-1-(1-cyanopiperidin-3-yl)-3-[4-(2,4-difluo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	17.3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description BTK: TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide p...				US Patent US10815213 (2020)
Pfizer Inc. US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377731 (5-amino-1-(1-cyanopiperidin-3-yl)-3-[4-(2,4-difluo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description BTK: TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide p...				US Patent US10815213 (2020)
Pfizer Inc. US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM377731 (5-amino-1-(1-cyanopiperidin-3-yl)-3-[4-(2,4-difluo...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid PDB UniChem	US Patent	n/a	n/a	1.68E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 20 μM ATP, 100 nM peptide substrate ...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
Institut Claudius Regaud					More data for this Ligand-Target Pair