null

SMILES: COc1cccc(Nc2ncc(F)c(NC3CCN(C3)C(=O)C=C)n2)c1

InChI Key: InChIKey=RAKFXZZYPMLVRD-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 397245   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM397245 (US10596172, Compound I-201 | US10828300, Compound ...) Show SMILES COc1cccc(Nc2ncc(F)c(NC3CCN(C3)C(=O)C=C)n2)c1 Show InChI InChI=1S/C18H20FN5O2/c1-3-16(25)24-8-7-13(11-24)21-17-15(19)10-20-18(23-17)22-12-5-4-6-14(9-12)26-2/h3-6,9-10,13H,1,7-8,11H2,2H3,(H2,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals					Assay Description ITK: This example describes continuous-read kinase assays to measure inherent potency of compound against active forms of ITK enzymes as described in...				Bioorg Med Chem 17: 3934-58 (2009) BindingDB Entry DOI: 10.7270/Q2NV9MM2
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM397245 (US10596172, Compound I-201 | US10828300, Compound ...) Show SMILES COc1cccc(Nc2ncc(F)c(NC3CCN(C3)C(=O)C=C)n2)c1 Show InChI InChI=1S/C18H20FN5O2/c1-3-16(25)24-8-7-13(11-24)21-17-15(19)10-20-18(23-17)22-12-5-4-6-14(9-12)26-2/h3-6,9-10,13H,1,7-8,11H2,2H3,(H2,20,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals					Assay Description EGFR (WT) and EGFR (T790M/L858R): The Omnia Assay Protocol for potency assessment against EGFR is performed as described in Example 251 above except ...				Bioorg Med Chem 17: 3934-58 (2009) BindingDB Entry DOI: 10.7270/Q2NV9MM2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397245 (US10596172, Compound I-201 | US10828300, Compound ...) Show SMILES COc1cccc(Nc2ncc(F)c(NC3CCN(C3)C(=O)C=C)n2)c1 Show InChI InChI=1S/C18H20FN5O2/c1-3-16(25)24-8-7-13(11-24)21-17-15(19)10-20-18(23-17)22-12-5-4-6-14(9-12)26-2/h3-6,9-10,13H,1,7-8,11H2,2H3,(H2,20,21,22,23)	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	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM397245 (US10596172, Compound I-201 | US10828300, Compound ...) Show SMILES COc1cccc(Nc2ncc(F)c(NC3CCN(C3)C(=O)C=C)n2)c1 Show InChI InChI=1S/C18H20FN5O2/c1-3-16(25)24-8-7-13(11-24)21-17-15(19)10-20-18(23-17)22-12-5-4-6-14(9-12)26-2/h3-6,9-10,13H,1,7-8,11H2,2H3,(H2,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM397245 (US10596172, Compound I-201 | US10828300, Compound ...) Show SMILES COc1cccc(Nc2ncc(F)c(NC3CCN(C3)C(=O)C=C)n2)c1 Show InChI InChI=1S/C18H20FN5O2/c1-3-16(25)24-8-7-13(11-24)21-17-15(19)10-20-18(23-17)22-12-5-4-6-14(9-12)26-2/h3-6,9-10,13H,1,7-8,11H2,2H3,(H2,20,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Briefly, 10x stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X92FHZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397245 (US10596172, Compound I-201 | US10828300, Compound ...) Show SMILES COc1cccc(Nc2ncc(F)c(NC3CCN(C3)C(=O)C=C)n2)c1 Show InChI InChI=1S/C18H20FN5O2/c1-3-16(25)24-8-7-13(11-24)21-17-15(19)10-20-18(23-17)22-12-5-4-6-14(9-12)26-2/h3-6,9-10,13H,1,7-8,11H2,2H3,(H2,20,21,22,23)	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	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397245 (US10596172, Compound I-201 | US10828300, Compound ...) Show SMILES COc1cccc(Nc2ncc(F)c(NC3CCN(C3)C(=O)C=C)n2)c1 Show InChI InChI=1S/C18H20FN5O2/c1-3-16(25)24-8-7-13(11-24)21-17-15(19)10-20-18(23-17)22-12-5-4-6-14(9-12)26-2/h3-6,9-10,13H,1,7-8,11H2,2H3,(H2,20,21,22,23)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Briefly, 10x stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X92FHZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM397245 (US10596172, Compound I-201 | US10828300, Compound ...) Show SMILES COc1cccc(Nc2ncc(F)c(NC3CCN(C3)C(=O)C=C)n2)c1 Show InChI InChI=1S/C18H20FN5O2/c1-3-16(25)24-8-7-13(11-24)21-17-15(19)10-20-18(23-17)22-12-5-4-6-14(9-12)26-2/h3-6,9-10,13H,1,7-8,11H2,2H3,(H2,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Briefly, 10x stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X92FHZ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM397245 (US10596172, Compound I-201 | US10828300, Compound ...) Show SMILES COc1cccc(Nc2ncc(F)c(NC3CCN(C3)C(=O)C=C)n2)c1 Show InChI InChI=1S/C18H20FN5O2/c1-3-16(25)24-8-7-13(11-24)21-17-15(19)10-20-18(23-17)22-12-5-4-6-14(9-12)26-2/h3-6,9-10,13H,1,7-8,11H2,2H3,(H2,20,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair