BDBM397210 US10596172, Compound I-155::US10828300, Compound I-155::US9987276, Compound I-155

SMILES: Cn1ncc2cc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)ccc12

InChI Key: InChIKey=GURMURZEEJVYHS-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 = 397210   

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))	BDBM397210 (US10596172, Compound I-155 | US10828300, Compound ...) Show SMILES Cn1ncc2cc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)ccc12 Show InChI InChI=1S/C21H18FN7O/c1-3-19(30)25-14-5-4-6-15(10-14)26-20-17(22)12-23-21(28-20)27-16-7-8-18-13(9-16)11-24-29(18)2/h3-12H,1H2,2H3,(H,25,30)(H2,23,26,27,28)	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))	BDBM397210 (US10596172, Compound I-155 | US10828300, Compound ...) Show SMILES Cn1ncc2cc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)ccc12 Show InChI InChI=1S/C21H18FN7O/c1-3-19(30)25-14-5-4-6-15(10-14)26-20-17(22)12-23-21(28-20)27-16-7-8-18-13(9-16)11-24-29(18)2/h3-12H,1H2,2H3,(H,25,30)(H2,23,26,27,28)	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))	BDBM397210 (US10596172, Compound I-155 | US10828300, Compound ...) Show SMILES Cn1ncc2cc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)ccc12 Show InChI InChI=1S/C21H18FN7O/c1-3-19(30)25-14-5-4-6-15(10-14)26-20-17(22)12-23-21(28-20)27-16-7-8-18-13(9-16)11-24-29(18)2/h3-12H,1H2,2H3,(H,25,30)(H2,23,26,27,28)	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))	BDBM397210 (US10596172, Compound I-155 | US10828300, Compound ...) Show SMILES Cn1ncc2cc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)ccc12 Show InChI InChI=1S/C21H18FN7O/c1-3-19(30)25-14-5-4-6-15(10-14)26-20-17(22)12-23-21(28-20)27-16-7-8-18-13(9-16)11-24-29(18)2/h3-12H,1H2,2H3,(H,25,30)(H2,23,26,27,28)	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))	BDBM397210 (US10596172, Compound I-155 | US10828300, Compound ...) Show SMILES Cn1ncc2cc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)ccc12 Show InChI InChI=1S/C21H18FN7O/c1-3-19(30)25-14-5-4-6-15(10-14)26-20-17(22)12-23-21(28-20)27-16-7-8-18-13(9-16)11-24-29(18)2/h3-12H,1H2,2H3,(H,25,30)(H2,23,26,27,28)	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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397210 (US10596172, Compound I-155 | US10828300, Compound ...) Show SMILES Cn1ncc2cc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)ccc12 Show InChI InChI=1S/C21H18FN7O/c1-3-19(30)25-14-5-4-6-15(10-14)26-20-17(22)12-23-21(28-20)27-16-7-8-18-13(9-16)11-24-29(18)2/h3-12H,1H2,2H3,(H,25,30)(H2,23,26,27,28)	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