Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM202200'   

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))	BDBM202200 (US9233983, P-15) Show SMILES CC1(O)CN(C1)C(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO |c:12| Show InChI InChI=1S/C36H36FN5O5/c1-36(46)19-41(20-36)35(45)40-11-8-22(9-12-40)29-17-26-25(7-10-38-33(26)39-29)24-3-2-4-30(27(24)18-43)42-13-14-47-31-16-23(21-5-6-21)15-28(37)32(31)34(42)44/h2-4,7-8,10,15-17,21,43,46H,5-6,9,11-14,18-20H2,1H3,(H,38,39)	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
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...				US Patent US9233983 (2016) BindingDB Entry DOI: 10.7270/Q22J69PQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM202200 (US9233983, P-15) Show SMILES CC1(O)CN(C1)C(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO |c:12| Show InChI InChI=1S/C36H36FN5O5/c1-36(46)19-41(20-36)35(45)40-11-8-22(9-12-40)29-17-26-25(7-10-38-33(26)39-29)24-3-2-4-30(27(24)18-43)42-13-14-47-31-16-23(21-5-6-21)15-28(37)32(31)34(42)44/h2-4,7-8,10,15-17,21,43,46H,5-6,9,11-14,18-20H2,1H3,(H,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human full length BTK preincubated for 10 mins followed by Tk-biotin peptide substrate addition after 90 mins by TR-FRET as...				Bioorg Med Chem Lett 27: 1867-1873 (2017) Article DOI: 10.1016/j.bmcl.2017.02.026 BindingDB Entry DOI: 10.7270/Q2K35X74
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Mus musculus)	BDBM202200 (US9233983, P-15) Show SMILES CC1(O)CN(C1)C(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO |c:12| Show InChI InChI=1S/C36H36FN5O5/c1-36(46)19-41(20-36)35(45)40-11-8-22(9-12-40)29-17-26-25(7-10-38-33(26)39-29)24-3-2-4-30(27(24)18-43)42-13-14-47-31-16-23(21-5-6-21)15-28(37)32(31)34(42)44/h2-4,7-8,10,15-17,21,43,46H,5-6,9,11-14,18-20H2,1H3,(H,38,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd Curated by ChEMBL					Assay Description Inhibition of C57BL/6J mouse BTK assessed as decrease in anti-mouse IgM antibody stimulated BCR mediated CD69 upregulation preincubated for 30 mins f...				Bioorg Med Chem Lett 27: 1867-1873 (2017) Article DOI: 10.1016/j.bmcl.2017.02.026 BindingDB Entry DOI: 10.7270/Q2K35X74
					More data for this Ligand-Target Pair