Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ITK/TSK' and Ligand = 'BDBM397235'   

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))	BDBM397235 (US10596172, Compound I-186 | US10828300, Compound ...) Show SMILES COc1ccc(Nc2ncc(C)c(Oc3cccc(NC(=O)C=C)c3)n2)cn1 Show InChI InChI=1S/C20H19N5O3/c1-4-17(26)23-14-6-5-7-16(10-14)28-19-13(2)11-22-20(25-19)24-15-8-9-18(27-3)21-12-15/h4-12H,1H2,2-3H3,(H,23,26)(H,22,24,25)	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))	BDBM397235 (US10596172, Compound I-186 | US10828300, Compound ...) Show SMILES COc1ccc(Nc2ncc(C)c(Oc3cccc(NC(=O)C=C)c3)n2)cn1 Show InChI InChI=1S/C20H19N5O3/c1-4-17(26)23-14-6-5-7-16(10-14)28-19-13(2)11-22-20(25-19)24-15-8-9-18(27-3)21-12-15/h4-12H,1H2,2-3H3,(H,23,26)(H,22,24,25)	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))	BDBM397235 (US10596172, Compound I-186 | US10828300, Compound ...) Show SMILES COc1ccc(Nc2ncc(C)c(Oc3cccc(NC(=O)C=C)c3)n2)cn1 Show InChI InChI=1S/C20H19N5O3/c1-4-17(26)23-14-6-5-7-16(10-14)28-19-13(2)11-22-20(25-19)24-15-8-9-18(27-3)21-12-15/h4-12H,1H2,2-3H3,(H,23,26)(H,22,24,25)	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