null

SMILES: COCCOc1ccc(Nc2ncc(F)c(Nc3ccc4CCN(C(=O)C=C)c4c3)n2)cc1

InChI Key: InChIKey=SPSAUHMKIJCTCP-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 397171   

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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM397171 (US10596172, Compound I-94 | US10828300, Compound I...) Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3ccc4CCN(C(=O)C=C)c4c3)n2)cc1 Show InChI InChI=1S/C24H24FN5O3/c1-3-22(31)30-11-10-16-4-5-18(14-21(16)30)27-23-20(25)15-26-24(29-23)28-17-6-8-19(9-7-17)33-13-12-32-2/h3-9,14-15H,1,10-13H2,2H3,(H2,26,27,28,29)	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
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 ITK/TSK (Homo sapiens (Human))	BDBM397171 (US10596172, Compound I-94 | US10828300, Compound I...) Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3ccc4CCN(C(=O)C=C)c4c3)n2)cc1 Show InChI InChI=1S/C24H24FN5O3/c1-3-22(31)30-11-10-16-4-5-18(14-21(16)30)27-23-20(25)15-26-24(29-23)28-17-6-8-19(9-7-17)33-13-12-32-2/h3-9,14-15H,1,10-13H2,2H3,(H2,26,27,28,29)	PDB MMDB Reactome pathway 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 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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397171 (US10596172, Compound I-94 | US10828300, Compound I...) Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3ccc4CCN(C(=O)C=C)c4c3)n2)cc1 Show InChI InChI=1S/C24H24FN5O3/c1-3-22(31)30-11-10-16-4-5-18(14-21(16)30)27-23-20(25)15-26-24(29-23)28-17-6-8-19(9-7-17)33-13-12-32-2/h3-9,14-15H,1,10-13H2,2H3,(H2,26,27,28,29)	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))	BDBM397171 (US10596172, Compound I-94 | US10828300, Compound I...) Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3ccc4CCN(C(=O)C=C)c4c3)n2)cc1 Show InChI InChI=1S/C24H24FN5O3/c1-3-22(31)30-11-10-16-4-5-18(14-21(16)30)27-23-20(25)15-26-24(29-23)28-17-6-8-19(9-7-17)33-13-12-32-2/h3-9,14-15H,1,10-13H2,2H3,(H2,26,27,28,29)	PDB MMDB Reactome pathway 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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM397171 (US10596172, Compound I-94 | US10828300, Compound I...) Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3ccc4CCN(C(=O)C=C)c4c3)n2)cc1 Show InChI InChI=1S/C24H24FN5O3/c1-3-22(31)30-11-10-16-4-5-18(14-21(16)30)27-23-20(25)15-26-24(29-23)28-17-6-8-19(9-7-17)33-13-12-32-2/h3-9,14-15H,1,10-13H2,2H3,(H2,26,27,28,29)	PDB MMDB 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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397171 (US10596172, Compound I-94 | US10828300, Compound I...) Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3ccc4CCN(C(=O)C=C)c4c3)n2)cc1 Show InChI InChI=1S/C24H24FN5O3/c1-3-22(31)30-11-10-16-4-5-18(14-21(16)30)27-23-20(25)15-26-24(29-23)28-17-6-8-19(9-7-17)33-13-12-32-2/h3-9,14-15H,1,10-13H2,2H3,(H2,26,27,28,29)	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))	BDBM397171 (US10596172, Compound I-94 | US10828300, Compound I...) Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3ccc4CCN(C(=O)C=C)c4c3)n2)cc1 Show InChI InChI=1S/C24H24FN5O3/c1-3-22(31)30-11-10-16-4-5-18(14-21(16)30)27-23-20(25)15-26-24(29-23)28-17-6-8-19(9-7-17)33-13-12-32-2/h3-9,14-15H,1,10-13H2,2H3,(H2,26,27,28,29)	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))	BDBM397171 (US10596172, Compound I-94 | US10828300, Compound I...) Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3ccc4CCN(C(=O)C=C)c4c3)n2)cc1 Show InChI InChI=1S/C24H24FN5O3/c1-3-22(31)30-11-10-16-4-5-18(14-21(16)30)27-23-20(25)15-26-24(29-23)28-17-6-8-19(9-7-17)33-13-12-32-2/h3-9,14-15H,1,10-13H2,2H3,(H2,26,27,28,29)	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
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))	BDBM397171 (US10596172, Compound I-94 | US10828300, Compound I...) Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3ccc4CCN(C(=O)C=C)c4c3)n2)cc1 Show InChI InChI=1S/C24H24FN5O3/c1-3-22(31)30-11-10-16-4-5-18(14-21(16)30)27-23-20(25)15-26-24(29-23)28-17-6-8-19(9-7-17)33-13-12-32-2/h3-9,14-15H,1,10-13H2,2H3,(H2,26,27,28,29)	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
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