Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM202199'   

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))	BDBM202199 (US9233983, P-14) Show SMILES CN(C)C(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO |c:8| Show InChI InChI=1S/C34H34FN5O4/c1-38(2)34(43)39-12-9-21(10-13-39)28-18-25-24(8-11-36-32(25)37-28)23-4-3-5-29(26(23)19-41)40-14-15-44-30-17-22(20-6-7-20)16-27(35)31(30)33(40)42/h3-5,8-9,11,16-18,20,41H,6-7,10,12-15,19H2,1-2H3,(H,36,37)	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))	BDBM202199 (US9233983, P-14) Show SMILES CN(C)C(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO |c:8| Show InChI InChI=1S/C34H34FN5O4/c1-38(2)34(43)39-12-9-21(10-13-39)28-18-25-24(8-11-36-32(25)37-28)23-4-3-5-29(26(23)19-41)40-14-15-44-30-17-22(20-6-7-20)16-27(35)31(30)33(40)42/h3-5,8-9,11,16-18,20,41H,6-7,10,12-15,19H2,1-2H3,(H,36,37)	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	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)	BDBM202199 (US9233983, P-14) Show SMILES CN(C)C(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO |c:8| Show InChI InChI=1S/C34H34FN5O4/c1-38(2)34(43)39-12-9-21(10-13-39)28-18-25-24(8-11-36-32(25)37-28)23-4-3-5-29(26(23)19-41)40-14-15-44-30-17-22(20-6-7-20)16-27(35)31(30)33(40)42/h3-5,8-9,11,16-18,20,41H,6-7,10,12-15,19H2,1-2H3,(H,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.80	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