BDBM397158 US10596172, Compound I-70::US10828300, Compound I-70::US9987276, Compound I-70

SMILES: Fc1cnc(Nc2ccc(OCCN3CCCC3=O)nc2)nc1Nc1cccc(NC(=O)C=C)c1

InChI Key: InChIKey=XCCATKZDNIWAER-UHFFFAOYSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 397158   

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))	BDBM397158 (US10596172, Compound I-70 | US10828300, Compound I...) Show SMILES Fc1cnc(Nc2ccc(OCCN3CCCC3=O)nc2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C24H24FN7O3/c1-2-20(33)28-16-5-3-6-17(13-16)29-23-19(25)15-27-24(31-23)30-18-8-9-21(26-14-18)35-12-11-32-10-4-7-22(32)34/h2-3,5-6,8-9,13-15H,1,4,7,10-12H2,(H,28,33)(H2,27,29,30,31)	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 ITK/TSK (Homo sapiens (Human))	BDBM397158 (US10596172, Compound I-70 | US10828300, Compound I...) Show SMILES Fc1cnc(Nc2ccc(OCCN3CCCC3=O)nc2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C24H24FN7O3/c1-2-20(33)28-16-5-3-6-17(13-16)29-23-19(25)15-27-24(31-23)30-18-8-9-21(26-14-18)35-12-11-32-10-4-7-22(32)34/h2-3,5-6,8-9,13-15H,1,4,7,10-12H2,(H,28,33)(H2,27,29,30,31)	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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397158 (US10596172, Compound I-70 | US10828300, Compound I...) Show SMILES Fc1cnc(Nc2ccc(OCCN3CCCC3=O)nc2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C24H24FN7O3/c1-2-20(33)28-16-5-3-6-17(13-16)29-23-19(25)15-27-24(31-23)30-18-8-9-21(26-14-18)35-12-11-32-10-4-7-22(32)34/h2-3,5-6,8-9,13-15H,1,4,7,10-12H2,(H,28,33)(H2,27,29,30,31)	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 ITK/TSK (Homo sapiens (Human))	BDBM397158 (US10596172, Compound I-70 | US10828300, Compound I...) Show SMILES Fc1cnc(Nc2ccc(OCCN3CCCC3=O)nc2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C24H24FN7O3/c1-2-20(33)28-16-5-3-6-17(13-16)29-23-19(25)15-27-24(31-23)30-18-8-9-21(26-14-18)35-12-11-32-10-4-7-22(32)34/h2-3,5-6,8-9,13-15H,1,4,7,10-12H2,(H,28,33)(H2,27,29,30,31)	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)
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM397158 (US10596172, Compound I-70 | US10828300, Compound I...) Show SMILES Fc1cnc(Nc2ccc(OCCN3CCCC3=O)nc2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C24H24FN7O3/c1-2-20(33)28-16-5-3-6-17(13-16)29-23-19(25)15-27-24(31-23)30-18-8-9-21(26-14-18)35-12-11-32-10-4-7-22(32)34/h2-3,5-6,8-9,13-15H,1,4,7,10-12H2,(H,28,33)(H2,27,29,30,31)	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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397158 (US10596172, Compound I-70 | US10828300, Compound I...) Show SMILES Fc1cnc(Nc2ccc(OCCN3CCCC3=O)nc2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C24H24FN7O3/c1-2-20(33)28-16-5-3-6-17(13-16)29-23-19(25)15-27-24(31-23)30-18-8-9-21(26-14-18)35-12-11-32-10-4-7-22(32)34/h2-3,5-6,8-9,13-15H,1,4,7,10-12H2,(H,28,33)(H2,27,29,30,31)	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