Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM50063962'   

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))	BDBM50063962 (CHEMBL3402584) Show SMILES CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:8| Show InChI InChI=1S/C33H31FN6O3/c1-38(2)33(43)39-11-8-20(9-12-39)27-16-24-30(35-18-36-31(24)37-27)23-4-3-5-28(25(23)17-41)40-13-10-21-14-22(19-6-7-19)15-26(34)29(21)32(40)42/h3-5,8,10,13-16,18-19,41H,6-7,9,11-12,17H2,1-2H3,(H,35,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged full length BTK expressed in baculovirus using biotin labeled peptide substrate after 1 hr by HRTF kinase/...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50063962 (CHEMBL3402584) Show SMILES CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:8| Show InChI InChI=1S/C33H31FN6O3/c1-38(2)33(43)39-11-8-20(9-12-39)27-16-24-30(35-18-36-31(24)37-27)23-4-3-5-28(25(23)17-41)40-13-10-21-14-22(19-6-7-19)15-26(34)29(21)32(40)42/h3-5,8,10,13-16,18-19,41H,6-7,9,11-12,17H2,1-2H3,(H,35,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BTK (unknown origin) after 1 hr by TR-FRET analysis				Bioorg Med Chem 23: 891-901 (2015) Article DOI: 10.1016/j.bmc.2014.10.043 BindingDB Entry DOI: 10.7270/Q2SN0BNZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50063962 (CHEMBL3402584) Show SMILES CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:8| Show InChI InChI=1S/C33H31FN6O3/c1-38(2)33(43)39-11-8-20(9-12-39)27-16-24-30(35-18-36-31(24)37-27)23-4-3-5-28(25(23)17-41)40-13-10-21-14-22(19-6-7-19)15-26(34)29(21)32(40)42/h3-5,8,10,13-16,18-19,41H,6-7,9,11-12,17H2,1-2H3,(H,35,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BTK in human Ramos cells assessed as inhibition of anti human IgM-induced calcium influx preincubated for 20 mins in dark followed by a...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50063962 (CHEMBL3402584) Show SMILES CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:8| Show InChI InChI=1S/C33H31FN6O3/c1-38(2)33(43)39-11-8-20(9-12-39)27-16-24-30(35-18-36-31(24)37-27)23-4-3-5-28(25(23)17-41)40-13-10-21-14-22(19-6-7-19)15-26(34)29(21)32(40)42/h3-5,8,10,13-16,18-19,41H,6-7,9,11-12,17H2,1-2H3,(H,35,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BTK in human Ramos cells after 20 mins by fluorescence assay				Bioorg Med Chem 23: 891-901 (2015) Article DOI: 10.1016/j.bmc.2014.10.043 BindingDB Entry DOI: 10.7270/Q2SN0BNZ
					More data for this Ligand-Target Pair