null

SMILES: COc1ccc(Nc2ncc(C#N)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1

InChI Key: InChIKey=BCAXHRNELQKNTO-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 397226   

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))	BDBM397226 (US10596172, Compound I-173 | US10828300, Compound ...) Show SMILES COc1ccc(Nc2ncc(C#N)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1 Show InChI InChI=1S/C20H17N7O2/c1-3-17(28)24-14-5-4-6-15(9-14)25-19-13(10-21)11-23-20(27-19)26-16-7-8-18(29-2)22-12-16/h3-9,11-12H,1H2,2H3,(H,24,28)(H2,23,25,26,27)	PDB MMDB 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
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))	BDBM397226 (US10596172, Compound I-173 | US10828300, Compound ...) Show SMILES COc1ccc(Nc2ncc(C#N)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1 Show InChI InChI=1S/C20H17N7O2/c1-3-17(28)24-14-5-4-6-15(9-14)25-19-13(10-21)11-23-20(27-19)26-16-7-8-18(29-2)22-12-16/h3-9,11-12H,1H2,2H3,(H,24,28)(H2,23,25,26,27)	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))	BDBM397226 (US10596172, Compound I-173 | US10828300, Compound ...) Show SMILES COc1ccc(Nc2ncc(C#N)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1 Show InChI InChI=1S/C20H17N7O2/c1-3-17(28)24-14-5-4-6-15(9-14)25-19-13(10-21)11-23-20(27-19)26-16-7-8-18(29-2)22-12-16/h3-9,11-12H,1H2,2H3,(H,24,28)(H2,23,25,26,27)	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))	BDBM397226 (US10596172, Compound I-173 | US10828300, Compound ...) Show SMILES COc1ccc(Nc2ncc(C#N)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1 Show InChI InChI=1S/C20H17N7O2/c1-3-17(28)24-14-5-4-6-15(9-14)25-19-13(10-21)11-23-20(27-19)26-16-7-8-18(29-2)22-12-16/h3-9,11-12H,1H2,2H3,(H,24,28)(H2,23,25,26,27)	PDB MMDB 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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM397226 (US10596172, Compound I-173 | US10828300, Compound ...) Show SMILES COc1ccc(Nc2ncc(C#N)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1 Show InChI InChI=1S/C20H17N7O2/c1-3-17(28)24-14-5-4-6-15(9-14)25-19-13(10-21)11-23-20(27-19)26-16-7-8-18(29-2)22-12-16/h3-9,11-12H,1H2,2H3,(H,24,28)(H2,23,25,26,27)	PDB MMDB 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 BTK (Homo sapiens (Human))	BDBM397226 (US10596172, Compound I-173 | US10828300, Compound ...) Show SMILES COc1ccc(Nc2ncc(C#N)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1 Show InChI InChI=1S/C20H17N7O2/c1-3-17(28)24-14-5-4-6-15(9-14)25-19-13(10-21)11-23-20(27-19)26-16-7-8-18(29-2)22-12-16/h3-9,11-12H,1H2,2H3,(H,24,28)(H2,23,25,26,27)	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))	BDBM397226 (US10596172, Compound I-173 | US10828300, Compound ...) Show SMILES COc1ccc(Nc2ncc(C#N)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1 Show InChI InChI=1S/C20H17N7O2/c1-3-17(28)24-14-5-4-6-15(9-14)25-19-13(10-21)11-23-20(27-19)26-16-7-8-18(29-2)22-12-16/h3-9,11-12H,1H2,2H3,(H,24,28)(H2,23,25,26,27)	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))	BDBM397226 (US10596172, Compound I-173 | US10828300, Compound ...) Show SMILES COc1ccc(Nc2ncc(C#N)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1 Show InChI InChI=1S/C20H17N7O2/c1-3-17(28)24-14-5-4-6-15(9-14)25-19-13(10-21)11-23-20(27-19)26-16-7-8-18(29-2)22-12-16/h3-9,11-12H,1H2,2H3,(H,24,28)(H2,23,25,26,27)	PDB MMDB 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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM397226 (US10596172, Compound I-173 | US10828300, Compound ...) Show SMILES COc1ccc(Nc2ncc(C#N)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1 Show InChI InChI=1S/C20H17N7O2/c1-3-17(28)24-14-5-4-6-15(9-14)25-19-13(10-21)11-23-20(27-19)26-16-7-8-18(29-2)22-12-16/h3-9,11-12H,1H2,2H3,(H,24,28)(H2,23,25,26,27)	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) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair