Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM202141'   

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))	BDBM202141 (US9233983, I-12) Show SMILES CCN1CCN(Cc2ccc(nc2)-c2cc3c(ccnc3[nH]2)-c2cccc(N3CCOc4cc(cc(F)c4C3=O)C3CC3)c2CO)CC1 Show InChI InChI=1S/C38H39FN6O3/c1-2-43-12-14-44(15-13-43)22-24-6-9-32(41-21-24)33-20-29-28(10-11-40-37(29)42-33)27-4-3-5-34(30(27)23-46)45-16-17-48-35-19-26(25-7-8-25)18-31(39)36(35)38(45)47/h3-6,9-11,18-21,25,46H,2,7-8,12-17,22-23H2,1H3,(H,40,42)	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	2	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))	BDBM202141 (US9233983, I-12) Show SMILES CCN1CCN(Cc2ccc(nc2)-c2cc3c(ccnc3[nH]2)-c2cccc(N3CCOc4cc(cc(F)c4C3=O)C3CC3)c2CO)CC1 Show InChI InChI=1S/C38H39FN6O3/c1-2-43-12-14-44(15-13-43)22-24-6-9-32(41-21-24)33-20-29-28(10-11-40-37(29)42-33)27-4-3-5-34(30(27)23-46)45-16-17-48-35-19-26(25-7-8-25)18-31(39)36(35)38(45)47/h3-6,9-11,18-21,25,46H,2,7-8,12-17,22-23H2,1H3,(H,40,42)	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	2.60	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)	BDBM202141 (US9233983, I-12) Show SMILES CCN1CCN(Cc2ccc(nc2)-c2cc3c(ccnc3[nH]2)-c2cccc(N3CCOc4cc(cc(F)c4C3=O)C3CC3)c2CO)CC1 Show InChI InChI=1S/C38H39FN6O3/c1-2-43-12-14-44(15-13-43)22-24-6-9-32(41-21-24)33-20-29-28(10-11-40-37(29)42-33)27-4-3-5-34(30(27)23-46)45-16-17-48-35-19-26(25-7-8-25)18-31(39)36(35)38(45)47/h3-6,9-11,18-21,25,46H,2,7-8,12-17,22-23H2,1H3,(H,40,42)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.40	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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM202141 (US9233983, I-12) Show SMILES CCN1CCN(Cc2ccc(nc2)-c2cc3c(ccnc3[nH]2)-c2cccc(N3CCOc4cc(cc(F)c4C3=O)C3CC3)c2CO)CC1 Show InChI InChI=1S/C38H39FN6O3/c1-2-43-12-14-44(15-13-43)22-24-6-9-32(41-21-24)33-20-29-28(10-11-40-37(29)42-33)27-4-3-5-34(30(27)23-46)45-16-17-48-35-19-26(25-7-8-25)18-31(39)36(35)38(45)47/h3-6,9-11,18-21,25,46H,2,7-8,12-17,22-23H2,1H3,(H,40,42)	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	84	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd Curated by ChEMBL					Assay Description Inhibition of human BTK assessed as decrease in anti-mouse IgD antibody stimulated BCR mediated CD69 upregulation in whole blood preincubated for 1 h...				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)	BDBM202141 (US9233983, I-12) Show SMILES CCN1CCN(Cc2ccc(nc2)-c2cc3c(ccnc3[nH]2)-c2cccc(N3CCOc4cc(cc(F)c4C3=O)C3CC3)c2CO)CC1 Show InChI InChI=1S/C38H39FN6O3/c1-2-43-12-14-44(15-13-43)22-24-6-9-32(41-21-24)33-20-29-28(10-11-40-37(29)42-33)27-4-3-5-34(30(27)23-46)45-16-17-48-35-19-26(25-7-8-25)18-31(39)36(35)38(45)47/h3-6,9-11,18-21,25,46H,2,7-8,12-17,22-23H2,1H3,(H,40,42)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	159	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd Curated by ChEMBL					Assay Description Inhibition of mouse BTK assessed as decrease in anti-mouse IgD antibody stimulated BCR mediated CD69 upregulation in whole blood preincubated for 1 h...				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)	BDBM202141 (US9233983, I-12) Show SMILES CCN1CCN(Cc2ccc(nc2)-c2cc3c(ccnc3[nH]2)-c2cccc(N3CCOc4cc(cc(F)c4C3=O)C3CC3)c2CO)CC1 Show InChI InChI=1S/C38H39FN6O3/c1-2-43-12-14-44(15-13-43)22-24-6-9-32(41-21-24)33-20-29-28(10-11-40-37(29)42-33)27-4-3-5-34(30(27)23-46)45-16-17-48-35-19-26(25-7-8-25)18-31(39)36(35)38(45)47/h3-6,9-11,18-21,25,46H,2,7-8,12-17,22-23H2,1H3,(H,40,42)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd Curated by ChEMBL					Assay Description Inhibition of mouse BTK assessed as decrease in anti-CD3epsilon antibody stimulated TCR mediated CD69 upregulation in whole blood preincubated for 1 ...				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