Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ITK/TSK' and Ligand = 'BDBM437828'   

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))	BDBM437828 (US10596172, Compound I-162 | US10828300, Compound ...) Show SMILES Fc1cnc(Nc2cccc(OCCCN3CCCC3=O)c2)nc1Oc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C26H26FN5O4/c1-2-23(33)29-18-7-4-10-21(16-18)36-25-22(27)17-28-26(31-25)30-19-8-3-9-20(15-19)35-14-6-13-32-12-5-11-24(32)34/h2-4,7-10,15-17H,1,5-6,11-14H2,(H,29,33)(H,28,30,31)	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))	BDBM437828 (US10596172, Compound I-162 | US10828300, Compound ...) Show SMILES Fc1cnc(Nc2cccc(OCCCN3CCCC3=O)c2)nc1Oc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C26H26FN5O4/c1-2-23(33)29-18-7-4-10-21(16-18)36-25-22(27)17-28-26(31-25)30-19-8-3-9-20(15-19)35-14-6-13-32-12-5-11-24(32)34/h2-4,7-10,15-17H,1,5-6,11-14H2,(H,29,33)(H,28,30,31)	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