null

SMILES: CC(C)(C)OC(=O)NCCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1

InChI Key: InChIKey=RCMAVJXUAZABPB-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 397242   

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))	BDBM397242 (US10596172, Compound I-198 | US10828300, Compound ...) Show SMILES CC(C)(C)OC(=O)NCCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1 Show InChI InChI=1S/C27H31FN6O4/c1-5-23(35)31-19-8-6-9-20(16-19)32-24-22(28)17-30-25(34-24)33-18-10-12-21(13-11-18)37-15-7-14-29-26(36)38-27(2,3)4/h5-6,8-13,16-17H,1,7,14-15H2,2-4H3,(H,29,36)(H,31,35)(H2,30,32,33,34)	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))	BDBM397242 (US10596172, Compound I-198 | US10828300, Compound ...) Show SMILES CC(C)(C)OC(=O)NCCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1 Show InChI InChI=1S/C27H31FN6O4/c1-5-23(35)31-19-8-6-9-20(16-19)32-24-22(28)17-30-25(34-24)33-18-10-12-21(13-11-18)37-15-7-14-29-26(36)38-27(2,3)4/h5-6,8-13,16-17H,1,7,14-15H2,2-4H3,(H,29,36)(H,31,35)(H2,30,32,33,34)	PDB MMDB 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
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))	BDBM397242 (US10596172, Compound I-198 | US10828300, Compound ...) Show SMILES CC(C)(C)OC(=O)NCCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1 Show InChI InChI=1S/C27H31FN6O4/c1-5-23(35)31-19-8-6-9-20(16-19)32-24-22(28)17-30-25(34-24)33-18-10-12-21(13-11-18)37-15-7-14-29-26(36)38-27(2,3)4/h5-6,8-13,16-17H,1,7,14-15H2,2-4H3,(H,29,36)(H,31,35)(H2,30,32,33,34)	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)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM397242 (US10596172, Compound I-198 | US10828300, Compound ...) Show SMILES CC(C)(C)OC(=O)NCCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1 Show InChI InChI=1S/C27H31FN6O4/c1-5-23(35)31-19-8-6-9-20(16-19)32-24-22(28)17-30-25(34-24)33-18-10-12-21(13-11-18)37-15-7-14-29-26(36)38-27(2,3)4/h5-6,8-13,16-17H,1,7,14-15H2,2-4H3,(H,29,36)(H,31,35)(H2,30,32,33,34)	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)
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	US11351168, Compound I-198 (US10596172, Compound I-198 | US10828300, Compound ...) Show SMILES CC(C)(C)OC(=O)NCCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1 Show InChI InChI=1S/C27H31FN6O4/c1-5-23(35)31-19-8-6-9-20(16-19)32-24-22(28)17-30-25(34-24)33-18-10-12-21(13-11-18)37-15-7-14-29-26(36)38-27(2,3)4/h5-6,8-13,16-17H,1,7,14-15H2,2-4H3,(H,29,36)(H,31,35)(H2,30,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397242 (US10596172, Compound I-198 | US10828300, Compound ...) Show SMILES CC(C)(C)OC(=O)NCCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1 Show InChI InChI=1S/C27H31FN6O4/c1-5-23(35)31-19-8-6-9-20(16-19)32-24-22(28)17-30-25(34-24)33-18-10-12-21(13-11-18)37-15-7-14-29-26(36)38-27(2,3)4/h5-6,8-13,16-17H,1,7,14-15H2,2-4H3,(H,29,36)(H,31,35)(H2,30,32,33,34)	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)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	US11351168, Compound I-198 (US10596172, Compound I-198 | US10828300, Compound ...) Show SMILES CC(C)(C)OC(=O)NCCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1 Show InChI InChI=1S/C27H31FN6O4/c1-5-23(35)31-19-8-6-9-20(16-19)32-24-22(28)17-30-25(34-24)33-18-10-12-21(13-11-18)37-15-7-14-29-26(36)38-27(2,3)4/h5-6,8-13,16-17H,1,7,14-15H2,2-4H3,(H,29,36)(H,31,35)(H2,30,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	US11351168, Compound I-198 (US10596172, Compound I-198 | US10828300, Compound ...) Show SMILES CC(C)(C)OC(=O)NCCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1 Show InChI InChI=1S/C27H31FN6O4/c1-5-23(35)31-19-8-6-9-20(16-19)32-24-22(28)17-30-25(34-24)33-18-10-12-21(13-11-18)37-15-7-14-29-26(36)38-27(2,3)4/h5-6,8-13,16-17H,1,7,14-15H2,2-4H3,(H,29,36)(H,31,35)(H2,30,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM397242 (US10596172, Compound I-198 | US10828300, Compound ...) Show SMILES CC(C)(C)OC(=O)NCCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1 Show InChI InChI=1S/C27H31FN6O4/c1-5-23(35)31-19-8-6-9-20(16-19)32-24-22(28)17-30-25(34-24)33-18-10-12-21(13-11-18)37-15-7-14-29-26(36)38-27(2,3)4/h5-6,8-13,16-17H,1,7,14-15H2,2-4H3,(H,29,36)(H,31,35)(H2,30,32,33,34)	PDB MMDB 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)
					More data for this Ligand-Target Pair