Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for entry = 2019   

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))	BDBM350867 (US9795608, Compound 1) Show SMILES Nc1ncnc2c(nn(-c3ccc(Oc4cccc(OCc5cncs5)c4)cc3)c12)C1CCCC1 Show InChI InChI=1S/C26H24N6O2S/c27-26-25-24(29-15-30-26)23(17-4-1-2-5-17)31-32(25)18-8-10-19(11-9-18)34-21-7-3-6-20(12-21)33-14-22-13-28-16-35-22/h3,6-13,15-17H,1-2,4-5,14H2,(H2,27,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PHARMASCIENCE, INC. US Patent					Assay Description Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...				US Patent US9795608 (2017) BindingDB Entry DOI: 10.7270/Q29K4DCP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM350885 (US9795608, Compound 15) Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-n3nc(C4CCOCC4)c4ncnc(N)c34)c2)cn1 Show InChI InChI=1S/C28H26FN7O3/c1-17-31-13-18(14-32-17)15-38-23-10-20(29)11-24(12-23)39-22-4-2-21(3-5-22)36-27-26(33-16-34-28(27)30)25(35-36)19-6-8-37-9-7-19/h2-5,10-14,16,19H,6-9,15H2,1H3,(H2,30,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PHARMASCIENCE, INC. US Patent					Assay Description Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...				US Patent US9795608 (2017) BindingDB Entry DOI: 10.7270/Q29K4DCP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM350873 (US9795608, Compound 3) Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-n3nc(C4CCOCC4)c4ncnc(N)c34)c2)s1 Show InChI InChI=1S/C27H25FN6O3S/c1-16-30-13-23(38-16)14-36-21-10-18(28)11-22(12-21)37-20-4-2-19(3-5-20)34-26-25(31-15-32-27(26)29)24(33-34)17-6-8-35-9-7-17/h2-5,10-13,15,17H,6-9,14H2,1H3,(H2,29,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PHARMASCIENCE, INC. US Patent					Assay Description Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...				US Patent US9795608 (2017) BindingDB Entry DOI: 10.7270/Q29K4DCP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM350874 (US9795608, Compound 4) Show SMILES Cn1cncc1COc1cc(F)cc(Oc2ccc(cc2)-n2nc(C3CCOCC3)c3ncnc(N)c23)c1 Show InChI InChI=1S/C27H26FN7O3/c1-34-16-30-13-20(34)14-37-22-10-18(28)11-23(12-22)38-21-4-2-19(3-5-21)35-26-25(31-15-32-27(26)29)24(33-35)17-6-8-36-9-7-17/h2-5,10-13,15-17H,6-9,14H2,1H3,(H2,29,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PHARMASCIENCE, INC. US Patent					Assay Description Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...				US Patent US9795608 (2017) BindingDB Entry DOI: 10.7270/Q29K4DCP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM350875 (US9795608, Compound 5) Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-n3nc(C4CCOCC4)c4ncnc(N)c34)c2)o1 Show InChI InChI=1S/C27H25FN6O4/c1-16-30-13-23(37-16)14-36-21-10-18(28)11-22(12-21)38-20-4-2-19(3-5-20)34-26-25(31-15-32-27(26)29)24(33-34)17-6-8-35-9-7-17/h2-5,10-13,15,17H,6-9,14H2,1H3,(H2,29,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PHARMASCIENCE, INC. US Patent					Assay Description Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...				US Patent US9795608 (2017) BindingDB Entry DOI: 10.7270/Q29K4DCP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM350876 (US9795608, Compound 6) Show SMILES Cc1ccc(COc2cc(F)cc(Oc3ccc(cc3)-n3nc(C4CCCC4)c4ncnc(N)c34)c2)cn1 Show InChI InChI=1S/C29H27FN6O2/c1-18-6-7-19(15-32-18)16-37-24-12-21(30)13-25(14-24)38-23-10-8-22(9-11-23)36-28-27(33-17-34-29(28)31)26(35-36)20-4-2-3-5-20/h6-15,17,20H,2-5,16H2,1H3,(H2,31,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PHARMASCIENCE, INC. US Patent					Assay Description Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...				US Patent US9795608 (2017) BindingDB Entry DOI: 10.7270/Q29K4DCP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM350877 (US9795608, Compound 7) Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-n3nc(C4CCCC4)c4ncnc(N)c34)c2)s1 Show InChI InChI=1S/C27H25FN6O2S/c1-16-30-13-23(37-16)14-35-21-10-18(28)11-22(12-21)36-20-8-6-19(7-9-20)34-26-25(31-15-32-27(26)29)24(33-34)17-4-2-3-5-17/h6-13,15,17H,2-5,14H2,1H3,(H2,29,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PHARMASCIENCE, INC. US Patent					Assay Description Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...				US Patent US9795608 (2017) BindingDB Entry DOI: 10.7270/Q29K4DCP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM350878 (US9795608, Compound 8) Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-n3nc(C4CCCC4)c4ncnc(N)c34)c2)cn1 Show InChI InChI=1S/C28H26FN7O2/c1-17-31-13-18(14-32-17)15-37-23-10-20(29)11-24(12-23)38-22-8-6-21(7-9-22)36-27-26(33-16-34-28(27)30)25(35-36)19-4-2-3-5-19/h6-14,16,19H,2-5,15H2,1H3,(H2,30,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PHARMASCIENCE, INC. US Patent					Assay Description Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...				US Patent US9795608 (2017) BindingDB Entry DOI: 10.7270/Q29K4DCP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM350879 (US9795608, Compound 9) Show SMILES CC(C)c1nn(-c2ccc(Oc3cc(F)cc(OCc4cnc(C)s4)c3)cc2)c2c(N)ncnc12 Show InChI InChI=1S/C25H23FN6O2S/c1-14(2)22-23-24(25(27)30-13-29-23)32(31-22)17-4-6-18(7-5-17)34-20-9-16(26)8-19(10-20)33-12-21-11-28-15(3)35-21/h4-11,13-14H,12H2,1-3H3,(H2,27,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PHARMASCIENCE, INC. US Patent					Assay Description Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...				US Patent US9795608 (2017) BindingDB Entry DOI: 10.7270/Q29K4DCP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM350880 (US9795608, Compound 10) Show SMILES CC(C)c1nn(-c2ccc(Oc3cc(F)cc(OCc4cnc(C)nc4)c3)cc2)c2c(N)ncnc12 Show InChI InChI=1S/C26H24FN7O2/c1-15(2)23-24-25(26(28)32-14-31-24)34(33-23)19-4-6-20(7-5-19)36-22-9-18(27)8-21(10-22)35-13-17-11-29-16(3)30-12-17/h4-12,14-15H,13H2,1-3H3,(H2,28,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PHARMASCIENCE, INC. US Patent					Assay Description Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...				US Patent US9795608 (2017) BindingDB Entry DOI: 10.7270/Q29K4DCP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM350881 (US9795608, Compound 11) Show SMILES CC(C)c1nn(-c2ccc(Oc3cc(F)cc(OCc4ccc(C)nc4)c3)cc2)c2c(N)ncnc12 Show InChI InChI=1S/C27H25FN6O2/c1-16(2)24-25-26(27(29)32-15-31-25)34(33-24)20-6-8-21(9-7-20)36-23-11-19(28)10-22(12-23)35-14-18-5-4-17(3)30-13-18/h4-13,15-16H,14H2,1-3H3,(H2,29,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PHARMASCIENCE, INC. US Patent					Assay Description Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...				US Patent US9795608 (2017) BindingDB Entry DOI: 10.7270/Q29K4DCP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM350882 (US9795608, Compound 12) Show SMILES CC(C)c1nn(-c2ccc(Oc3cc(F)cc(OCc4ccccc4)c3)cc2)c2c(N)ncnc12 Show InChI InChI=1S/C27H24FN5O2/c1-17(2)24-25-26(27(29)31-16-30-25)33(32-24)20-8-10-21(11-9-20)35-23-13-19(28)12-22(14-23)34-15-18-6-4-3-5-7-18/h3-14,16-17H,15H2,1-2H3,(H2,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PHARMASCIENCE, INC. US Patent					Assay Description Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...				US Patent US9795608 (2017) BindingDB Entry DOI: 10.7270/Q29K4DCP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM350883 (US9795608, Compound 13) Show SMILES Nc1ncnc2c(nn(-c3ccc(Oc4cc(F)cc(OCc5ccccc5)c4)cc3)c12)C1CCOCC1 Show InChI InChI=1S/C29H26FN5O3/c30-21-14-24(37-17-19-4-2-1-3-5-19)16-25(15-21)38-23-8-6-22(7-9-23)35-28-27(32-18-33-29(28)31)26(34-35)20-10-12-36-13-11-20/h1-9,14-16,18,20H,10-13,17H2,(H2,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PHARMASCIENCE, INC. US Patent					Assay Description Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...				US Patent US9795608 (2017) BindingDB Entry DOI: 10.7270/Q29K4DCP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM350884 (US9795608, Compound 14) Show SMILES Cc1ccc(COc2cc(F)cc(Oc3ccc(cc3)-n3nc(C4CCOCC4)c4ncnc(N)c34)c2)cn1 Show InChI InChI=1S/C29H27FN6O3/c1-18-2-3-19(15-32-18)16-38-24-12-21(30)13-25(14-24)39-23-6-4-22(5-7-23)36-28-27(33-17-34-29(28)31)26(35-36)20-8-10-37-11-9-20/h2-7,12-15,17,20H,8-11,16H2,1H3,(H2,31,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PHARMASCIENCE, INC. US Patent					Assay Description Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...				US Patent US9795608 (2017) BindingDB Entry DOI: 10.7270/Q29K4DCP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM350872 (US9795608, Compound 2) Show SMILES Cc1ncc(COc2cccc(Oc3ccc(cc3)-n3nc(C4CCCC4)c4ncnc(N)c34)c2)s1 Show InChI InChI=1S/C27H26N6O2S/c1-17-29-14-23(36-17)15-34-21-7-4-8-22(13-21)35-20-11-9-19(10-12-20)33-26-25(30-16-31-27(26)28)24(32-33)18-5-2-3-6-18/h4,7-14,16,18H,2-3,5-6,15H2,1H3,(H2,28,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PHARMASCIENCE, INC. US Patent					Assay Description Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...				US Patent US9795608 (2017) BindingDB Entry DOI: 10.7270/Q29K4DCP
					More data for this Ligand-Target Pair