null

SMILES: CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(Nc3ccccc3)ncc2C)c1

InChI Key: InChIKey=IZOQLNVGRPSGOU-MDWZMJQESA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 397150   

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
Cytoplasmic tyrosine-protein kinase BMX (Homo sapiens (Human))	BDBM397150 (US10596172, Compound I-38 | US10828300, Compound I...) Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(Nc3ccccc3)ncc2C)c1 Show InChI InChI=1S/C23H26N6O/c1-17-16-24-23(27-18-9-5-4-6-10-18)28-22(17)26-20-12-7-11-19(15-20)25-21(30)13-8-14-29(2)3/h4-13,15-16H,14H2,1-3H3,(H,25,30)(H2,24,26,27,28)/b13-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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 BMX: The activity of selected compounds of this invention in the BMX inhibition assay				Bioorg Med Chem 17: 3934-58 (2009) BindingDB Entry DOI: 10.7270/Q2NV9MM2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	US11351168, Compound I-38 (US10596172, Compound I-38 | US10828300, Compound I...) Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(Nc3ccccc3)ncc2C)c1 Show InChI InChI=1S/C23H26N6O/c1-17-16-24-23(27-18-9-5-4-6-10-18)28-22(17)26-20-12-7-11-19(15-20)25-21(30)13-8-14-29(2)3/h4-13,15-16H,14H2,1-3H3,(H,25,30)(H2,24,26,27,28)/b13-8+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	550	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 [T790M,L858R] (Homo sapiens (Human))	BDBM397150 (US10596172, Compound I-38 | US10828300, Compound I...) Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(Nc3ccccc3)ncc2C)c1 Show InChI InChI=1S/C23H26N6O/c1-17-16-24-23(27-18-9-5-4-6-10-18)28-22(17)26-20-12-7-11-19(15-20)25-21(30)13-8-14-29(2)3/h4-13,15-16H,14H2,1-3H3,(H,25,30)(H2,24,26,27,28)/b13-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 JAK3 (Homo sapiens (Human))	BDBM397150 (US10596172, Compound I-38 | US10828300, Compound I...) Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(Nc3ccccc3)ncc2C)c1 Show InChI InChI=1S/C23H26N6O/c1-17-16-24-23(27-18-9-5-4-6-10-18)28-22(17)26-20-12-7-11-19(15-20)25-21(30)13-8-14-29(2)3/h4-13,15-16H,14H2,1-3H3,(H,25,30)(H2,24,26,27,28)/b13-8+	PDB 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 JAK3: The Omnia Assay Protocol for potency assessment against JAK3 was performed in a substantially similar manner as that described in Example 251 a...				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))	BDBM397150 (US10596172, Compound I-38 | US10828300, Compound I...) Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(Nc3ccccc3)ncc2C)c1 Show InChI InChI=1S/C23H26N6O/c1-17-16-24-23(27-18-9-5-4-6-10-18)28-22(17)26-20-12-7-11-19(15-20)25-21(30)13-8-14-29(2)3/h4-13,15-16H,14H2,1-3H3,(H,25,30)(H2,24,26,27,28)/b13-8+	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))	BDBM397150 (US10596172, Compound I-38 | US10828300, Compound I...) Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(Nc3ccccc3)ncc2C)c1 Show InChI InChI=1S/C23H26N6O/c1-17-16-24-23(27-18-9-5-4-6-10-18)28-22(17)26-20-12-7-11-19(15-20)25-21(30)13-8-14-29(2)3/h4-13,15-16H,14H2,1-3H3,(H,25,30)(H2,24,26,27,28)/b13-8+	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))	BDBM397150 (US10596172, Compound I-38 | US10828300, Compound I...) Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(Nc3ccccc3)ncc2C)c1 Show InChI InChI=1S/C23H26N6O/c1-17-16-24-23(27-18-9-5-4-6-10-18)28-22(17)26-20-12-7-11-19(15-20)25-21(30)13-8-14-29(2)3/h4-13,15-16H,14H2,1-3H3,(H,25,30)(H2,24,26,27,28)/b13-8+	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)
					More data for this Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX (Homo sapiens (Human))	BDBM397150 (US10596172, Compound I-38 | US10828300, Compound I...) Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(Nc3ccccc3)ncc2C)c1 Show InChI InChI=1S/C23H26N6O/c1-17-16-24-23(27-18-9-5-4-6-10-18)28-22(17)26-20-12-7-11-19(15-20)25-21(30)13-8-14-29(2)3/h4-13,15-16H,14H2,1-3H3,(H,25,30)(H2,24,26,27,28)/b13-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM397150 (US10596172, Compound I-38 | US10828300, Compound I...) Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(Nc3ccccc3)ncc2C)c1 Show InChI InChI=1S/C23H26N6O/c1-17-16-24-23(27-18-9-5-4-6-10-18)28-22(17)26-20-12-7-11-19(15-20)25-21(30)13-8-14-29(2)3/h4-13,15-16H,14H2,1-3H3,(H,25,30)(H2,24,26,27,28)/b13-8+	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)
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM397150 (US10596172, Compound I-38 | US10828300, Compound I...) Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(Nc3ccccc3)ncc2C)c1 Show InChI InChI=1S/C23H26N6O/c1-17-16-24-23(27-18-9-5-4-6-10-18)28-22(17)26-20-12-7-11-19(15-20)25-21(30)13-8-14-29(2)3/h4-13,15-16H,14H2,1-3H3,(H,25,30)(H2,24,26,27,28)/b13-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 JAK3 (Homo sapiens (Human))	BDBM397150 (US10596172, Compound I-38 | US10828300, Compound I...) Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(Nc3ccccc3)ncc2C)c1 Show InChI InChI=1S/C23H26N6O/c1-17-16-24-23(27-18-9-5-4-6-10-18)28-22(17)26-20-12-7-11-19(15-20)25-21(30)13-8-14-29(2)3/h4-13,15-16H,14H2,1-3H3,(H,25,30)(H2,24,26,27,28)/b13-8+	PDB 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)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397150 (US10596172, Compound I-38 | US10828300, Compound I...) Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(Nc3ccccc3)ncc2C)c1 Show InChI InChI=1S/C23H26N6O/c1-17-16-24-23(27-18-9-5-4-6-10-18)28-22(17)26-20-12-7-11-19(15-20)25-21(30)13-8-14-29(2)3/h4-13,15-16H,14H2,1-3H3,(H,25,30)(H2,24,26,27,28)/b13-8+	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-38 (US10596172, Compound I-38 | US10828300, Compound I...) Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(Nc3ccccc3)ncc2C)c1 Show InChI InChI=1S/C23H26N6O/c1-17-16-24-23(27-18-9-5-4-6-10-18)28-22(17)26-20-12-7-11-19(15-20)25-21(30)13-8-14-29(2)3/h4-13,15-16H,14H2,1-3H3,(H,25,30)(H2,24,26,27,28)/b13-8+	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-38 (US10596172, Compound I-38 | US10828300, Compound I...) Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(Nc3ccccc3)ncc2C)c1 Show InChI InChI=1S/C23H26N6O/c1-17-16-24-23(27-18-9-5-4-6-10-18)28-22(17)26-20-12-7-11-19(15-20)25-21(30)13-8-14-29(2)3/h4-13,15-16H,14H2,1-3H3,(H,25,30)(H2,24,26,27,28)/b13-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX (Homo sapiens (Human))	US11351168, Compound I-38 (US10596172, Compound I-38 | US10828300, Compound I...) Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(Nc3ccccc3)ncc2C)c1 Show InChI InChI=1S/C23H26N6O/c1-17-16-24-23(27-18-9-5-4-6-10-18)28-22(17)26-20-12-7-11-19(15-20)25-21(30)13-8-14-29(2)3/h4-13,15-16H,14H2,1-3H3,(H,25,30)(H2,24,26,27,28)/b13-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Epidermal growth factor receptor (Homo sapiens (Human))	US11351168, Compound I-38 (US10596172, Compound I-38 | US10828300, Compound I...) Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(Nc3ccccc3)ncc2C)c1 Show InChI InChI=1S/C23H26N6O/c1-17-16-24-23(27-18-9-5-4-6-10-18)28-22(17)26-20-12-7-11-19(15-20)25-21(30)13-8-14-29(2)3/h4-13,15-16H,14H2,1-3H3,(H,25,30)(H2,24,26,27,28)/b13-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	550	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 [T790M,L858R] (Homo sapiens (Human))	US11351168, Compound I-38 (US10596172, Compound I-38 | US10828300, Compound I...) Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(Nc3ccccc3)ncc2C)c1 Show InChI InChI=1S/C23H26N6O/c1-17-16-24-23(27-18-9-5-4-6-10-18)28-22(17)26-20-12-7-11-19(15-20)25-21(30)13-8-14-29(2)3/h4-13,15-16H,14H2,1-3H3,(H,25,30)(H2,24,26,27,28)/b13-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM397150 (US10596172, Compound I-38 | US10828300, Compound I...) Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(Nc3ccccc3)ncc2C)c1 Show InChI InChI=1S/C23H26N6O/c1-17-16-24-23(27-18-9-5-4-6-10-18)28-22(17)26-20-12-7-11-19(15-20)25-21(30)13-8-14-29(2)3/h4-13,15-16H,14H2,1-3H3,(H,25,30)(H2,24,26,27,28)/b13-8+	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