Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ITK/TSK' and Ligand = 'BDBM397223'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM397223 (US10596172, Compound I-169 | US10828300, Compound ...) Show SMILES CC(=O)c1cnc(Nc2ccc(cc2)N2CCOCC2)nc1Nc1ccc2OCCN(C(=O)C=C)c2c1 Show InChI InChI=1S/C27H28N6O4/c1-3-25(35)33-12-15-37-24-9-6-20(16-23(24)33)29-26-22(18(2)34)17-28-27(31-26)30-19-4-7-21(8-5-19)32-10-13-36-14-11-32/h3-9,16-17H,1,10-15H2,2H3,(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
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM397223 (US10596172, Compound I-169 | US10828300, Compound ...) Show SMILES CC(=O)c1cnc(Nc2ccc(cc2)N2CCOCC2)nc1Nc1ccc2OCCN(C(=O)C=C)c2c1 Show InChI InChI=1S/C27H28N6O4/c1-3-25(35)33-12-15-37-24-9-6-20(16-23(24)33)29-26-22(18(2)34)17-28-27(31-26)30-19-4-7-21(8-5-19)32-10-13-36-14-11-32/h3-9,16-17H,1,10-15H2,2H3,(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) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM397223 (US10596172, Compound I-169 | US10828300, Compound ...) Show SMILES CC(=O)c1cnc(Nc2ccc(cc2)N2CCOCC2)nc1Nc1ccc2OCCN(C(=O)C=C)c2c1 Show InChI InChI=1S/C27H28N6O4/c1-3-25(35)33-12-15-37-24-9-6-20(16-23(24)33)29-26-22(18(2)34)17-28-27(31-26)30-19-4-7-21(8-5-19)32-10-13-36-14-11-32/h3-9,16-17H,1,10-15H2,2H3,(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	<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