null

SMILES: CC(=O)c1cnc(Nc2ccc(cc2)N2CCCC2=O)nc1Nc1ccc2OCCN(C(=O)C=C)c2c1

InChI Key: InChIKey=PFDRMUBURSHXNT-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 397207   

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))	BDBM397207 (US10596172, Compound I-152 | US10828300, Compound ...) Show SMILES CC(=O)c1cnc(Nc2ccc(cc2)N2CCCC2=O)nc1Nc1ccc2OCCN(C(=O)C=C)c2c1 Show InChI InChI=1S/C27H26N6O4/c1-3-24(35)33-13-14-37-23-11-8-19(15-22(23)33)29-26-21(17(2)34)16-28-27(31-26)30-18-6-9-20(10-7-18)32-12-4-5-25(32)36/h3,6-11,15-16H,1,4-5,12-14H2,2H3,(H2,28,29,30,31)	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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM397207 (US10596172, Compound I-152 | US10828300, Compound ...) Show SMILES CC(=O)c1cnc(Nc2ccc(cc2)N2CCCC2=O)nc1Nc1ccc2OCCN(C(=O)C=C)c2c1 Show InChI InChI=1S/C27H26N6O4/c1-3-24(35)33-13-14-37-23-11-8-19(15-22(23)33)29-26-21(17(2)34)16-28-27(31-26)30-18-6-9-20(10-7-18)32-12-4-5-25(32)36/h3,6-11,15-16H,1,4-5,12-14H2,2H3,(H2,28,29,30,31)	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 BTK (Homo sapiens (Human))	BDBM397207 (US10596172, Compound I-152 | US10828300, Compound ...) Show SMILES CC(=O)c1cnc(Nc2ccc(cc2)N2CCCC2=O)nc1Nc1ccc2OCCN(C(=O)C=C)c2c1 Show InChI InChI=1S/C27H26N6O4/c1-3-24(35)33-13-14-37-23-11-8-19(15-22(23)33)29-26-21(17(2)34)16-28-27(31-26)30-18-6-9-20(10-7-18)32-12-4-5-25(32)36/h3,6-11,15-16H,1,4-5,12-14H2,2H3,(H2,28,29,30,31)	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
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM397207 (US10596172, Compound I-152 | US10828300, Compound ...) Show SMILES CC(=O)c1cnc(Nc2ccc(cc2)N2CCCC2=O)nc1Nc1ccc2OCCN(C(=O)C=C)c2c1 Show InChI InChI=1S/C27H26N6O4/c1-3-24(35)33-13-14-37-23-11-8-19(15-22(23)33)29-26-21(17(2)34)16-28-27(31-26)30-18-6-9-20(10-7-18)32-12-4-5-25(32)36/h3,6-11,15-16H,1,4-5,12-14H2,2H3,(H2,28,29,30,31)	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))	BDBM397207 (US10596172, Compound I-152 | US10828300, Compound ...) Show SMILES CC(=O)c1cnc(Nc2ccc(cc2)N2CCCC2=O)nc1Nc1ccc2OCCN(C(=O)C=C)c2c1 Show InChI InChI=1S/C27H26N6O4/c1-3-24(35)33-13-14-37-23-11-8-19(15-22(23)33)29-26-21(17(2)34)16-28-27(31-26)30-18-6-9-20(10-7-18)32-12-4-5-25(32)36/h3,6-11,15-16H,1,4-5,12-14H2,2H3,(H2,28,29,30,31)	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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397207 (US10596172, Compound I-152 | US10828300, Compound ...) Show SMILES CC(=O)c1cnc(Nc2ccc(cc2)N2CCCC2=O)nc1Nc1ccc2OCCN(C(=O)C=C)c2c1 Show InChI InChI=1S/C27H26N6O4/c1-3-24(35)33-13-14-37-23-11-8-19(15-22(23)33)29-26-21(17(2)34)16-28-27(31-26)30-18-6-9-20(10-7-18)32-12-4-5-25(32)36/h3,6-11,15-16H,1,4-5,12-14H2,2H3,(H2,28,29,30,31)	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 BTK (Homo sapiens (Human))	BDBM397207 (US10596172, Compound I-152 | US10828300, Compound ...) Show SMILES CC(=O)c1cnc(Nc2ccc(cc2)N2CCCC2=O)nc1Nc1ccc2OCCN(C(=O)C=C)c2c1 Show InChI InChI=1S/C27H26N6O4/c1-3-24(35)33-13-14-37-23-11-8-19(15-22(23)33)29-26-21(17(2)34)16-28-27(31-26)30-18-6-9-20(10-7-18)32-12-4-5-25(32)36/h3,6-11,15-16H,1,4-5,12-14H2,2H3,(H2,28,29,30,31)	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))	BDBM397207 (US10596172, Compound I-152 | US10828300, Compound ...) Show SMILES CC(=O)c1cnc(Nc2ccc(cc2)N2CCCC2=O)nc1Nc1ccc2OCCN(C(=O)C=C)c2c1 Show InChI InChI=1S/C27H26N6O4/c1-3-24(35)33-13-14-37-23-11-8-19(15-22(23)33)29-26-21(17(2)34)16-28-27(31-26)30-18-6-9-20(10-7-18)32-12-4-5-25(32)36/h3,6-11,15-16H,1,4-5,12-14H2,2H3,(H2,28,29,30,31)	PDB MMDB 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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM397207 (US10596172, Compound I-152 | US10828300, Compound ...) Show SMILES CC(=O)c1cnc(Nc2ccc(cc2)N2CCCC2=O)nc1Nc1ccc2OCCN(C(=O)C=C)c2c1 Show InChI InChI=1S/C27H26N6O4/c1-3-24(35)33-13-14-37-23-11-8-19(15-22(23)33)29-26-21(17(2)34)16-28-27(31-26)30-18-6-9-20(10-7-18)32-12-4-5-25(32)36/h3,6-11,15-16H,1,4-5,12-14H2,2H3,(H2,28,29,30,31)	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