Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM303533'   

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 BTK (Homo sapiens (Human))	BDBM303533 (US10138229, Example 44 | US10875852, Example 44 | ...) Show SMILES NC(=O)c1c(N)n(CCNC(=O)C=C)nc1-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C21H21N5O3/c1-2-17(27)24-12-13-26-20(22)18(21(23)28)19(25-26)14-8-10-16(11-9-14)29-15-6-4-3-5-7-15/h2-11H,1,12-13,22H2,(H2,23,28)(H,24,27)	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	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description TBDAn HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation ...				US Patent US10138229 (2018) BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303533 (US10138229, Example 44 | US10875852, Example 44 | ...) Show SMILES NC(=O)c1c(N)n(CCNC(=O)C=C)nc1-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C21H21N5O3/c1-2-17(27)24-12-13-26-20(22)18(21(23)28)19(25-26)14-8-10-16(11-9-14)29-15-6-4-3-5-7-15/h2-11H,1,12-13,22H2,(H2,23,28)(H,24,27)	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	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description An HTRF assay (Cisbio KinEASE-TK cat #62TK0PEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...				US Patent US10875852 (2020) BindingDB Entry DOI: 10.7270/Q2DN484H
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303533 (US10138229, Example 44 | US10875852, Example 44 | ...) Show SMILES NC(=O)c1c(N)n(CCNC(=O)C=C)nc1-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C21H21N5O3/c1-2-17(27)24-12-13-26-20(22)18(21(23)28)19(25-26)14-8-10-16(11-9-14)29-15-6-4-3-5-7-15/h2-11H,1,12-13,22H2,(H2,23,28)(H,24,27)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago					Assay Description Btk kinase activity was determined using a Homogeneous Time-Resolved Fluorescence (HTRF) methodology (Cisbio). Measurements were performed in a react...				J Med Chem 51: 3437-48 (2008) BindingDB Entry DOI: 10.7270/Q20C4Z3V
					More data for this Ligand-Target Pair