Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ITK/TSK' and Ligand = 'BDBM397153'   

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))	BDBM397153 (US10596172, Compound I-45 | US10828300, Compound I...) Show SMILES Cc1cnc(Nc2cccc(OCCCNC(=O)OC(C)(C)C)c2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C28H34N6O4/c1-6-24(35)31-20-10-7-11-21(16-20)32-25-19(2)18-30-26(34-25)33-22-12-8-13-23(17-22)37-15-9-14-29-27(36)38-28(3,4)5/h6-8,10-13,16-18H,1,9,14-15H2,2-5H3,(H,29,36)(H,31,35)(H2,30,32,33,34)	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 ITK/TSK (Homo sapiens (Human))	BDBM397153 (US10596172, Compound I-45 | US10828300, Compound I...) Show SMILES Cc1cnc(Nc2cccc(OCCCNC(=O)OC(C)(C)C)c2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C28H34N6O4/c1-6-24(35)31-20-10-7-11-21(16-20)32-25-19(2)18-30-26(34-25)33-22-12-8-13-23(17-22)37-15-9-14-29-27(36)38-28(3,4)5/h6-8,10-13,16-18H,1,9,14-15H2,2-5H3,(H,29,36)(H,31,35)(H2,30,32,33,34)	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) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM397153 (US10596172, Compound I-45 | US10828300, Compound I...) Show SMILES Cc1cnc(Nc2cccc(OCCCNC(=O)OC(C)(C)C)c2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C28H34N6O4/c1-6-24(35)31-20-10-7-11-21(16-20)32-25-19(2)18-30-26(34-25)33-22-12-8-13-23(17-22)37-15-9-14-29-27(36)38-28(3,4)5/h6-8,10-13,16-18H,1,9,14-15H2,2-5H3,(H,29,36)(H,31,35)(H2,30,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	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