Compile Data Set for Download or QSAR

Found 325 hits with Last Name = 'rose' and Initial = 'y'   

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
Replicase polyprotein 1ab (2019-nCoV)	BDBM50591389 (CHEMBL5179778) Show SMILES CC(C)C[C@H](NC(=O)c1cc2c(F)cccc2[nH]1)C(=O)NN(C[C@@H]1CCNC1=O)C(=O)[C@H](F)Cl |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01081 BindingDB Entry DOI: 10.7270/Q2NK3K0J
					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))	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))	BDBM351818 (US9796716, Compound 63) Show SMILES Nc1ncnc2n(nc(-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)38-23-8-6-20(7-9-23)27-26-28(31)32-18-33-29(26)35(34-27)22-10-12-36-13-11-22/h1-9,14-16,18,22H,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 US9796716 (2017) BindingDB Entry DOI: 10.7270/Q2MW2K8J
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM359847 (US9822120, Compound 1) Show SMILES CC(C)c1nc(-c2ccc(Oc3cc(F)cc(OCc4cnc(C)s4)c3)cc2)c2c(N)nccn12 Show InChI InChI=1S/C26H24FN5O2S/c1-15(2)26-31-23(24-25(28)29-8-9-32(24)26)17-4-6-19(7-5-17)34-21-11-18(27)10-20(12-21)33-14-22-13-30-16(3)35-22/h4-13,15H,14H2,1-3H3,(H2,28,29)	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 Method A: Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length ...				US Patent US9822120 (2017) BindingDB Entry DOI: 10.7270/Q2639S1W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM359848 (US9822120, Compound 2) Show SMILES CC(C)c1nc(-c2ccc(Oc3cc(F)cc(OCc4cnc(C)nc4)c3)cc2)c2c(N)nccn12 Show InChI InChI=1S/C27H25FN6O2/c1-16(2)27-33-24(25-26(29)30-8-9-34(25)27)19-4-6-21(7-5-19)36-23-11-20(28)10-22(12-23)35-15-18-13-31-17(3)32-14-18/h4-14,16H,15H2,1-3H3,(H2,29,30)	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 Method A: Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length ...				US Patent US9822120 (2017) BindingDB Entry DOI: 10.7270/Q2639S1W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM359849 (US9822120, Compound 3) Show SMILES CC(C)c1nc(-c2ccc(Oc3cc(F)cc(OCc4ccc(C)nc4)c3)cc2)c2c(N)nccn12 Show InChI InChI=1S/C28H26FN5O2/c1-17(2)28-33-25(26-27(30)31-10-11-34(26)28)20-6-8-22(9-7-20)36-24-13-21(29)12-23(14-24)35-16-19-5-4-18(3)32-15-19/h4-15,17H,16H2,1-3H3,(H2,30,31)	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 Method A: Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length ...				US Patent US9822120 (2017) BindingDB Entry DOI: 10.7270/Q2639S1W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM359850 (US9822120, Compound 4) Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CCCC4)n4ccnc(N)c34)c2)s1 Show InChI InChI=1S/C28H26FN5O2S/c1-17-32-15-24(37-17)16-35-22-12-20(29)13-23(14-22)36-21-8-6-18(7-9-21)25-26-27(30)31-10-11-34(26)28(33-25)19-4-2-3-5-19/h6-15,19H,2-5,16H2,1H3,(H2,30,31)	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 Method A: Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length ...				US Patent US9822120 (2017) BindingDB Entry DOI: 10.7270/Q2639S1W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM359851 (US9822120, Compound 5) Show SMILES Cc1ccc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CCCC4)n4ccnc(N)c34)c2)cn1 Show InChI InChI=1S/C30H28FN5O2/c1-19-6-7-20(17-34-19)18-37-25-14-23(31)15-26(16-25)38-24-10-8-21(9-11-24)27-28-29(32)33-12-13-36(28)30(35-27)22-4-2-3-5-22/h6-17,22H,2-5,18H2,1H3,(H2,32,33)	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 Method A: Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length ...				US Patent US9822120 (2017) BindingDB Entry DOI: 10.7270/Q2639S1W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM359852 (US9822120, Compound 6) Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CCCC4)n4ccnc(N)c34)c2)cn1 Show InChI InChI=1S/C29H27FN6O2/c1-18-33-15-19(16-34-18)17-37-24-12-22(30)13-25(14-24)38-23-8-6-20(7-9-23)26-27-28(31)32-10-11-36(27)29(35-26)21-4-2-3-5-21/h6-16,21H,2-5,17H2,1H3,(H2,31,32)	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 Method A: Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length ...				US Patent US9822120 (2017) BindingDB Entry DOI: 10.7270/Q2639S1W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM359853 (US9822120, Compound 7) Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CCOCC4)n4ccnc(N)c34)c2)s1 Show InChI InChI=1S/C28H26FN5O3S/c1-17-32-15-24(38-17)16-36-22-12-20(29)13-23(14-22)37-21-4-2-18(3-5-21)25-26-27(30)31-8-9-34(26)28(33-25)19-6-10-35-11-7-19/h2-5,8-9,12-15,19H,6-7,10-11,16H2,1H3,(H2,30,31)	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 Method A: Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length ...				US Patent US9822120 (2017) BindingDB Entry DOI: 10.7270/Q2639S1W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM359854 (US9822120, Compound 8) Show SMILES Cc1ccc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CCOCC4)n4ccnc(N)c34)c2)cn1 Show InChI InChI=1S/C30H28FN5O3/c1-19-2-3-20(17-34-19)18-38-25-14-23(31)15-26(16-25)39-24-6-4-21(5-7-24)27-28-29(32)33-10-11-36(28)30(35-27)22-8-12-37-13-9-22/h2-7,10-11,14-17,22H,8-9,12-13,18H2,1H3,(H2,32,33)	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 Method A: Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length ...				US Patent US9822120 (2017) BindingDB Entry DOI: 10.7270/Q2639S1W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM359855 (US9822120, Compound 9) Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CCOCC4)n4ccnc(N)c34)c2)cn1 Show InChI InChI=1S/C29H27FN6O3/c1-18-33-15-19(16-34-18)17-38-24-12-22(30)13-25(14-24)39-23-4-2-20(3-5-23)26-27-28(31)32-8-9-36(27)29(35-26)21-6-10-37-11-7-21/h2-5,8-9,12-16,21H,6-7,10-11,17H2,1H3,(H2,31,32)	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 Method A: Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length ...				US Patent US9822120 (2017) BindingDB Entry DOI: 10.7270/Q2639S1W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM359856 (US9822120, Compound 10) Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CC4)n4ccnc(N)c34)c2)s1 Show InChI InChI=1S/C26H22FN5O2S/c1-15-30-13-22(35-15)14-33-20-10-18(27)11-21(12-20)34-19-6-4-16(5-7-19)23-24-25(28)29-8-9-32(24)26(31-23)17-2-3-17/h4-13,17H,2-3,14H2,1H3,(H2,28,29)	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 Method A: Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length ...				US Patent US9822120 (2017) BindingDB Entry DOI: 10.7270/Q2639S1W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM359857 (US9822120, Compound 11) Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CC4)n4ccnc(N)c34)c2)cn1 Show InChI InChI=1S/C27H23FN6O2/c1-16-31-13-17(14-32-16)15-35-22-10-20(28)11-23(12-22)36-21-6-4-18(5-7-21)24-25-26(29)30-8-9-34(25)27(33-24)19-2-3-19/h4-14,19H,2-3,15H2,1H3,(H2,29,30)	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 Method A: Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length ...				US Patent US9822120 (2017) BindingDB Entry DOI: 10.7270/Q2639S1W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM359858 (US9822120, Compound 12) Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(n4ccnc(N)c34)C3(C)COC3)c2)cn1 Show InChI InChI=1S/C28H25FN6O3/c1-17-32-12-18(13-33-17)14-37-22-9-20(29)10-23(11-22)38-21-5-3-19(4-6-21)24-25-26(30)31-7-8-35(25)27(34-24)28(2)15-36-16-28/h3-13H,14-16H2,1-2H3,(H2,30,31)	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 Method A: Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length ...				US Patent US9822120 (2017) BindingDB Entry DOI: 10.7270/Q2639S1W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM359859 (US9822120, Compound 13) Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc([C@H]4C[C@@](C)(O)C4)n4ccnc(N)c34)c2)cn1 |r,wU:23.23,25.27,wD:25.26,(8.36,-.46,;7.27,.63,;5.78,.23,;4.7,1.32,;5.09,2.8,;4.01,3.89,;2.52,3.49,;1.43,4.58,;1.83,6.07,;.74,7.16,;1.14,8.65,;-.75,6.76,;-1.15,5.27,;-2.63,4.87,;-3.03,3.39,;-1.94,2.3,;-2.34,.81,;-3.83,.41,;-4.92,1.5,;-4.52,2.99,;-4.23,-1.08,;-3.32,-2.32,;-4.23,-3.57,;-3.83,-5.06,;-2.5,-5.83,;-3.27,-7.16,;-1.93,-7.93,;-3.67,-8.65,;-4.6,-6.39,;-5.69,-3.09,;-7.03,-3.86,;-8.36,-3.09,;-8.36,-1.55,;-7.03,-.78,;-7.03,.76,;-5.69,-1.55,;-.06,4.18,;6.58,3.2,;7.67,2.11,)| Show InChI InChI=1S/C29H27FN6O3/c1-17-33-14-18(15-34-17)16-38-23-9-21(30)10-24(11-23)39-22-5-3-19(4-6-22)25-26-27(31)32-7-8-36(26)28(35-25)20-12-29(2,37)13-20/h3-11,14-15,20,37H,12-13,16H2,1-2H3,(H2,31,32)/t20-,29+	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 Method A: Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length ...				US Patent US9822120 (2017) BindingDB Entry DOI: 10.7270/Q2639S1W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM359860 (US9822120, Compound 14) Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CC(O)(CO)C4)n4ccnc(N)c34)c2)s1 |(6.49,-1.11,;6.49,.43,;7.74,1.34,;7.26,2.8,;5.72,2.8,;4.63,3.89,;3.14,3.49,;2.05,4.58,;2.45,6.07,;1.36,7.16,;1.76,8.65,;-.12,6.76,;-.52,5.27,;-2.01,4.87,;-2.41,3.39,;-1.32,2.3,;-1.72,.81,;-3.21,.41,;-4.29,1.5,;-3.9,2.99,;-3.6,-1.08,;-2.7,-2.32,;-3.6,-3.57,;-3.21,-5.06,;-3.98,-6.39,;-2.64,-7.16,;-3.04,-8.65,;-1.1,-7.16,;-.33,-8.49,;-1.87,-5.83,;-5.07,-3.09,;-6.4,-3.86,;-7.74,-3.09,;-7.74,-1.55,;-6.4,-.78,;-6.4,.76,;-5.07,-1.55,;.57,4.18,;5.24,1.34,)| Show InChI InChI=1S/C28H26FN5O4S/c1-16-32-13-23(39-16)14-37-21-8-19(29)9-22(10-21)38-20-4-2-17(3-5-20)24-25-26(30)31-6-7-34(25)27(33-24)18-11-28(36,12-18)15-35/h2-10,13,18,35-36H,11-12,14-15H2,1H3,(H2,30,31)	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 Method A: Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length ...				US Patent US9822120 (2017) BindingDB Entry DOI: 10.7270/Q2639S1W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM359861 (US9822120, Compound 15) Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(n4ccnc(N)c34)C3(C)COC3)c2)s1 Show InChI InChI=1S/C27H24FN5O3S/c1-16-31-12-22(37-16)13-35-20-9-18(28)10-21(11-20)36-19-5-3-17(4-6-19)23-24-25(29)30-7-8-33(24)26(32-23)27(2)14-34-15-27/h3-12H,13-15H2,1-2H3,(H2,29,30)	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 Method A: Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length ...				US Patent US9822120 (2017) BindingDB Entry DOI: 10.7270/Q2639S1W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM359862 (US9822120, Compound 16) Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc([C@H]4C[C@@](C)(O)C4)n4ccnc(N)c34)c2)s1 |r,wU:23.23,25.27,wD:25.26,(6.49,-1.18,;6.49,.36,;7.74,1.26,;7.26,2.73,;5.72,2.73,;4.63,3.82,;3.14,3.42,;2.05,4.51,;2.45,5.99,;1.36,7.08,;1.76,8.57,;-.12,6.68,;-.52,5.2,;-2.01,4.8,;-2.41,3.31,;-1.32,2.22,;-1.72,.73,;-3.21,.33,;-4.29,1.42,;-3.9,2.91,;-3.6,-1.15,;-2.7,-2.4,;-3.6,-3.64,;-3.21,-5.13,;-1.87,-5.9,;-2.64,-7.24,;-1.31,-8.01,;-3.41,-8.57,;-3.98,-6.47,;-5.07,-3.17,;-6.4,-3.94,;-7.74,-3.17,;-7.74,-1.63,;-6.4,-.86,;-6.4,.68,;-5.07,-1.63,;.57,4.11,;5.24,1.26,)| Show InChI InChI=1S/C28H26FN5O3S/c1-16-32-14-23(38-16)15-36-21-9-19(29)10-22(11-21)37-20-5-3-17(4-6-20)24-25-26(30)31-7-8-34(25)27(33-24)18-12-28(2,35)13-18/h3-11,14,18,35H,12-13,15H2,1-2H3,(H2,30,31)/t18-,28+	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 Method A: Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length ...				US Patent US9822120 (2017) BindingDB Entry DOI: 10.7270/Q2639S1W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM359863 (US9822120, Compound 17) Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CC(=O)C4)n4ccnc(N)c34)c2)s1 Show InChI InChI=1S/C27H22FN5O3S/c1-15-31-13-23(37-15)14-35-21-10-18(28)11-22(12-21)36-20-4-2-16(3-5-20)24-25-26(29)30-6-7-33(25)27(32-24)17-8-19(34)9-17/h2-7,10-13,17H,8-9,14H2,1H3,(H2,29,30)	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 Method A: Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length ...				US Patent US9822120 (2017) BindingDB Entry DOI: 10.7270/Q2639S1W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM359864 (US9822120, Compound 18) Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(CCN4CCCC4)n4ccnc(N)c34)c2)cn1 Show InChI InChI=1S/C30H30FN7O2/c1-20-34-17-21(18-35-20)19-39-25-14-23(31)15-26(16-25)40-24-6-4-22(5-7-24)28-29-30(32)33-9-13-38(29)27(36-28)8-12-37-10-2-3-11-37/h4-7,9,13-18H,2-3,8,10-12,19H2,1H3,(H2,32,33)	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 Method A: Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length ...				US Patent US9822120 (2017) BindingDB Entry DOI: 10.7270/Q2639S1W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM359865 (US9822120, Compound 19) Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CC(O)(CO)C4)n4ccnc(N)c34)c2)cn1 |(8.36,-.46,;7.27,.63,;5.78,.23,;4.7,1.32,;5.09,2.8,;4.01,3.89,;2.52,3.49,;1.43,4.58,;1.83,6.07,;.74,7.16,;1.14,8.65,;-.75,6.76,;-1.15,5.27,;-2.63,4.87,;-3.03,3.39,;-1.94,2.3,;-2.34,.81,;-3.83,.41,;-4.92,1.5,;-4.52,2.99,;-4.23,-1.08,;-3.32,-2.32,;-4.23,-3.57,;-3.83,-5.06,;-4.6,-6.39,;-3.27,-7.16,;-3.67,-8.65,;-1.73,-7.16,;-.96,-8.49,;-2.5,-5.83,;-5.69,-3.09,;-7.03,-3.86,;-8.36,-3.09,;-8.36,-1.55,;-7.03,-.78,;-7.03,.76,;-5.69,-1.55,;-.06,4.18,;6.58,3.2,;7.67,2.11,)| Show InChI InChI=1S/C29H27FN6O4/c1-17-33-13-18(14-34-17)15-39-23-8-21(30)9-24(10-23)40-22-4-2-19(3-5-22)25-26-27(31)32-6-7-36(26)28(35-25)20-11-29(38,12-20)16-37/h2-10,13-14,20,37-38H,11-12,15-16H2,1H3,(H2,31,32)	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 Method A: Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length ...				US Patent US9822120 (2017) BindingDB Entry DOI: 10.7270/Q2639S1W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM359866 (US9822120, Compound 20) Show SMILES CN1CCN(CC1)[C@H]1C[C@H](C1)c1nc(-c2ccc(Oc3cc(F)cc(OCc4cnc(C)s4)c3)cc2)c2c(N)nccn12 |r,wU:9.12,7.7,(-1.05,-10.88,;-1.45,-9.39,;-2.93,-8.99,;-3.33,-7.5,;-2.24,-6.42,;-.76,-6.81,;-.36,-8.3,;-2.64,-4.93,;-3.98,-4.16,;-3.21,-2.82,;-1.87,-3.59,;-3.6,-1.34,;-2.7,-.09,;-3.6,1.16,;-3.21,2.64,;-1.72,3.04,;-1.32,4.53,;-2.41,5.62,;-2.01,7.11,;-.52,7.5,;-.12,8.99,;1.36,9.39,;1.76,10.88,;2.45,8.3,;2.05,6.81,;3.14,5.72,;4.63,6.12,;5.72,5.03,;7.26,5.03,;7.74,3.57,;6.49,2.66,;6.49,1.12,;5.24,3.57,;.57,6.42,;-3.9,5.22,;-4.29,3.73,;-5.07,.68,;-6.4,1.45,;-6.4,2.99,;-7.74,.68,;-7.74,-.86,;-6.4,-1.63,;-5.07,-.86,)| Show InChI InChI=1S/C32H34FN7O2S/c1-20-36-18-28(43-20)19-41-26-15-23(33)16-27(17-26)42-25-5-3-21(4-6-25)29-30-31(34)35-7-8-40(30)32(37-29)22-13-24(14-22)39-11-9-38(2)10-12-39/h3-8,15-18,22,24H,9-14,19H2,1-2H3,(H2,34,35)/t22-,24+	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 Method A: Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length ...				US Patent US9822120 (2017) BindingDB Entry DOI: 10.7270/Q2639S1W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM359867 (US9822120, Compound 21) Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CC(=O)C4)n4ccnc(N)c34)c2)cn1 Show InChI InChI=1S/C28H23FN6O3/c1-16-32-13-17(14-33-16)15-37-23-10-20(29)11-24(12-23)38-22-4-2-18(3-5-22)25-26-27(30)31-6-7-35(26)28(34-25)19-8-21(36)9-19/h2-7,10-14,19H,8-9,15H2,1H3,(H2,30,31)	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 Method A: Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length ...				US Patent US9822120 (2017) BindingDB Entry DOI: 10.7270/Q2639S1W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM359868 (US9822120, Compound 22) Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc([C@@H]4CCCNC4)n4ccnc(N)c34)c2)cn1 |r| Show InChI InChI=1S/C29H28FN7O2/c1-18-34-14-19(15-35-18)17-38-24-11-22(30)12-25(13-24)39-23-6-4-20(5-7-23)26-27-28(31)33-9-10-37(27)29(36-26)21-3-2-8-32-16-21/h4-7,9-15,21,32H,2-3,8,16-17H2,1H3,(H2,31,33)/t21-/m1/s1	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 Method A: Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length ...				US Patent US9822120 (2017) BindingDB Entry DOI: 10.7270/Q2639S1W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM359869 (US9822120, Compound 24) Show SMILES CC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(Oc3cc(F)cc(OCc4cnc(C)nc4)c3)cc2)c2c(N)nccn12 |r| Show InChI InChI=1S/C31H30FN7O3/c1-19-35-15-21(16-36-19)18-41-26-12-24(32)13-27(14-26)42-25-7-5-22(6-8-25)28-29-30(33)34-9-11-39(29)31(37-28)23-4-3-10-38(17-23)20(2)40/h5-9,11-16,23H,3-4,10,17-18H2,1-2H3,(H2,33,34)/t23-/m1/s1	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 Method A: Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length ...				US Patent US9822120 (2017) BindingDB Entry DOI: 10.7270/Q2639S1W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM359870 (US9822120, Compound 25) Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc(Oc3cc(F)cc(OCc4ccccc4)c3)cc2)c2c(N)nccn12 |r,wU:4.6,1.1,wD:1.0,(-1.59,-7.93,;-2.92,-7.16,;-3.32,-8.65,;-2.15,-5.83,;-3.49,-5.06,;-4.26,-6.39,;-3.88,-3.57,;-2.98,-2.32,;-3.88,-1.08,;-3.49,.41,;-2,.81,;-1.6,2.3,;-2.69,3.39,;-2.29,4.87,;-.8,5.27,;-.4,6.76,;1.08,7.16,;1.48,8.65,;2.17,6.07,;1.77,4.58,;2.86,3.49,;4.35,3.89,;5.44,2.8,;5.04,1.32,;6.13,.23,;7.62,.63,;8.02,2.11,;6.93,3.2,;.29,4.18,;-4.18,2.99,;-4.57,1.5,;-5.35,-1.55,;-6.68,-.78,;-6.68,.76,;-8.02,-1.55,;-8.02,-3.09,;-6.68,-3.86,;-5.35,-3.09,)| Show InChI InChI=1S/C30H27FN4O3/c1-30(36)16-21(17-30)29-34-26(27-28(32)33-11-12-35(27)29)20-7-9-23(10-8-20)38-25-14-22(31)13-24(15-25)37-18-19-5-3-2-4-6-19/h2-15,21,36H,16-18H2,1H3,(H2,32,33)/t21-,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 Method A: Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length ...				US Patent US9822120 (2017) BindingDB Entry DOI: 10.7270/Q2639S1W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM359871 (US9822120, Compound 26) Show SMILES CC(=O)N1CC(C1)c1nc(-c2ccc(Oc3cc(F)cc(OCc4cnc(C)nc4)c3)cc2)c2c(N)nccn12 Show InChI InChI=1S/C29H26FN7O3/c1-17-33-12-19(13-34-17)16-39-24-9-22(30)10-25(11-24)40-23-5-3-20(4-6-23)26-27-28(31)32-7-8-37(27)29(35-26)21-14-36(15-21)18(2)38/h3-13,21H,14-16H2,1-2H3,(H2,31,32)	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 Method A: Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length ...				US Patent US9822120 (2017) BindingDB Entry DOI: 10.7270/Q2639S1W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM359872 (US9822120, Compound 27) Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CNC4)n4ccnc(N)c34)c2)cn1 Show InChI InChI=1S/C27H24FN7O2/c1-16-32-11-17(12-33-16)15-36-22-8-20(28)9-23(10-22)37-21-4-2-18(3-5-21)24-25-26(29)31-6-7-35(25)27(34-24)19-13-30-14-19/h2-12,19,30H,13-15H2,1H3,(H2,29,31)	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 Method A: Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length ...				US Patent US9822120 (2017) BindingDB Entry DOI: 10.7270/Q2639S1W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM351822 (US9796716, Compound 67) Show SMILES Cn1cncc1CCc1cc(F)cc(Oc2ccc(cc2)-c2nn(C3CCOCC3)c3ncnc(N)c23)c1 Show InChI InChI=1S/C28H28FN7O2/c1-35-17-31-15-22(35)5-2-18-12-20(29)14-24(13-18)38-23-6-3-19(4-7-23)26-25-27(30)32-16-33-28(25)36(34-26)21-8-10-37-11-9-21/h3-4,6-7,12-17,21H,2,5,8-11H2,1H3,(H2,30,32,33)	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 US9796716 (2017) BindingDB Entry DOI: 10.7270/Q2MW2K8J
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM351823 (US9796716, Compound 68) Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4cc(F)cc(OCc5cncnc5)c4)cc3)c12)C1CCOCC1 Show InChI InChI=1S/C27H24FN7O3/c28-19-9-22(37-14-17-12-30-15-31-13-17)11-23(10-19)38-21-3-1-18(2-4-21)25-24-26(29)32-16-33-27(24)35(34-25)20-5-7-36-8-6-20/h1-4,9-13,15-16,20H,5-8,14H2,(H2,29,32,33)	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 US9796716 (2017) BindingDB Entry DOI: 10.7270/Q2MW2K8J
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM351824 (US9796716, Compound 69) Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4cc(F)cc(OCc5cnccn5)c4)cc3)c12)C1CCOCC1 Show InChI InChI=1S/C27H24FN7O3/c28-18-11-22(37-15-19-14-30-7-8-31-19)13-23(12-18)38-21-3-1-17(2-4-21)25-24-26(29)32-16-33-27(24)35(34-25)20-5-9-36-10-6-20/h1-4,7-8,11-14,16,20H,5-6,9-10,15H2,(H2,29,32,33)	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 US9796716 (2017) BindingDB Entry DOI: 10.7270/Q2MW2K8J
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM351825 (US9796716, Compound 70) Show SMILES Cc1ncc(COc2cccc(Oc3ccc(-c4nn(C5CCOCC5)c5ncnc(N)c45)c(F)c3)c2)s1 Show InChI InChI=1S/C27H25FN6O3S/c1-16-30-13-21(38-16)14-36-18-3-2-4-19(11-18)37-20-5-6-22(23(28)12-20)25-24-26(29)31-15-32-27(24)34(33-25)17-7-9-35-10-8-17/h2-6,11-13,15,17H,7-10,14H2,1H3,(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 US9796716 (2017) BindingDB Entry DOI: 10.7270/Q2MW2K8J
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM351826 (US9796716, Compound 71 | US9796716, Compound 75) Show SMILES Cn1cncc1COc1cc(F)cc(Oc2ccc(cc2)-c2nn(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)38-21-4-2-17(3-5-21)25-24-26(29)31-15-32-27(24)35(33-25)19-6-8-36-9-7-19/h2-5,10-13,15-16,19H,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 US9796716 (2017) BindingDB Entry DOI: 10.7270/Q2MW2K8J
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM351828 (US9796716, Compound 72) Show SMILES Cn1cncc1COc1cc(F)cc(Oc2ccc(cc2F)-c2nn(C3CCOCC3)c3ncnc(N)c23)c1 Show InChI InChI=1S/C27H25F2N7O3/c1-35-15-31-12-19(35)13-38-20-9-17(28)10-21(11-20)39-23-3-2-16(8-22(23)29)25-24-26(30)32-14-33-27(24)36(34-25)18-4-6-37-7-5-18/h2-3,8-12,14-15,18H,4-7,13H2,1H3,(H2,30,32,33)	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 US9796716 (2017) BindingDB Entry DOI: 10.7270/Q2MW2K8J
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM351829 (US9796716, Compound 73) Show SMILES Cn1cncc1COc1cc(F)cc(Oc2ccc(-c3nn(C4CCOCC4)c4ncnc(N)c34)c(F)c2)c1 Show InChI InChI=1S/C27H25F2N7O3/c1-35-15-31-12-18(35)13-38-20-8-16(28)9-21(10-20)39-19-2-3-22(23(29)11-19)25-24-26(30)32-14-33-27(24)36(34-25)17-4-6-37-7-5-17/h2-3,8-12,14-15,17H,4-7,13H2,1H3,(H2,30,32,33)	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 US9796716 (2017) BindingDB Entry DOI: 10.7270/Q2MW2K8J
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM351831 (US9796716, Compound 74) Show SMILES CC(C)Cn1cncc1COc1cc(F)cc(Oc2ccc(cc2)-c2nn(C3CCOCC3)c3ncnc(N)c23)c1 Show InChI InChI=1S/C30H32FN7O3/c1-19(2)15-37-18-33-14-23(37)16-40-25-11-21(31)12-26(13-25)41-24-5-3-20(4-6-24)28-27-29(32)34-17-35-30(27)38(36-28)22-7-9-39-10-8-22/h3-6,11-14,17-19,22H,7-10,15-16H2,1-2H3,(H2,32,34,35)	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 US9796716 (2017) BindingDB Entry DOI: 10.7270/Q2MW2K8J
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM351826 (US9796716, Compound 71 | US9796716, Compound 75) Show SMILES Cn1cncc1COc1cc(F)cc(Oc2ccc(cc2)-c2nn(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)38-21-4-2-17(3-5-21)25-24-26(29)31-15-32-27(24)35(33-25)19-6-8-36-9-7-19/h2-5,10-13,15-16,19H,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 US9796716 (2017) BindingDB Entry DOI: 10.7270/Q2MW2K8J
					More data for this Ligand-Target Pair

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