Compile Data Set for Download or QSAR

Found 6172 hits with Last Name = 'watterson' and Initial = 'sh'   

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
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50123324 (7-Methoxy-6-oxazol-5-yl-2-phenyl-1H-quinolin-4-one...) Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1ccccc1 Show InChI InChI=1S/C19H14N2O3/c1-23-18-9-16-13(7-14(18)19-10-20-11-24-19)17(22)8-15(21-16)12-5-3-2-4-6-12/h2-11H,1H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb PRI Curated by ChEMBL					Assay Description Inhibitory activity of the compound against IMPDH II with respect to IMP and NAD				Bioorg Med Chem Lett 13: 543-6 (2003) BindingDB Entry DOI: 10.7270/Q2SJ1JZT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM164638 (BDBM166759 | US10604504, Example 223 | US11623921,...) Show SMILES CC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	116	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of His-tagged BTK (unknown origin) after 1.5 hrs by HTRF analysis				J Med Chem 62: 3228-3250 (2019) Article DOI: 10.1021/acs.jmedchem.9b00167 BindingDB Entry DOI: 10.7270/Q2ZK5M66
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...) Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	425	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of His-tagged BTK (unknown origin) after 1.5 hrs by HTRF analysis				J Med Chem 62: 3228-3250 (2019) Article DOI: 10.1021/acs.jmedchem.9b00167 BindingDB Entry DOI: 10.7270/Q2ZK5M66
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM281761 (4-(2-acryloyl-1,2,3,4- tetrahydroisoquinolin- 5-yl...) Show SMILES NC(=O)c1cc(F)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3cc(Cl)ccc3[nH]c12 |(.26,5.77,;-1.07,5,;-2.4,5.77,;-1.07,3.46,;.26,2.69,;.26,1.15,;1.6,.38,;-1.07,.38,;-1.07,-1.16,;-2.4,-1.92,;-2.4,-3.46,;-1.07,-4.23,;.26,-3.46,;1.6,-4.23,;2.93,-3.46,;2.93,-1.92,;1.6,-1.16,;.26,-1.92,;4.26,-4.23,;4.26,-5.77,;5.6,-3.46,;6.93,-4.23,;-2.4,1.15,;-3.87,.68,;-4.49,-.73,;-6.03,-.89,;-6.8,-2.22,;-6.93,.36,;-6.31,1.76,;-4.77,1.92,;-3.87,3.17,;-2.4,2.69,)| Show InChI InChI=1S/C25H19ClFN3O2/c1-2-21(31)30-9-8-15-13(12-30)4-3-5-16(15)22-19(27)11-18(25(28)32)24-23(22)17-10-14(26)6-7-20(17)29-24/h2-7,10-11,29H,1,8-9,12H2,(H2,28,32)	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	0.000260	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US10023534 (2018) BindingDB Entry DOI: 10.7270/Q2WW7KQR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM281762 (4-(2-acryloyl-1,2,3,4- tetrahydroisoquinolin- 5-yl...) Show SMILES NC(=O)c1cc(Cl)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3ccccc3[nH]c12 |(.26,5.77,;-1.07,5,;-2.4,5.77,;-1.07,3.46,;.26,2.69,;.26,1.15,;1.6,.38,;-1.07,.38,;-1.07,-1.16,;-2.4,-1.92,;-2.4,-3.46,;-1.07,-4.23,;.26,-3.46,;1.6,-4.23,;2.93,-3.46,;2.93,-1.92,;1.6,-1.16,;.26,-1.92,;4.26,-4.23,;4.26,-5.77,;5.6,-3.46,;6.93,-4.23,;-2.4,1.15,;-3.87,.68,;-4.49,-.73,;-6.03,-.89,;-6.93,.36,;-6.31,1.76,;-4.77,1.92,;-3.87,3.17,;-2.4,2.69,)| Show InChI InChI=1S/C25H20ClN3O2/c1-2-21(30)29-11-10-15-14(13-29)6-5-8-16(15)22-19(26)12-18(25(27)31)24-23(22)17-7-3-4-9-20(17)28-24/h2-9,12,28H,1,10-11,13H2,(H2,27,31)	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	0.000300	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US10023534 (2018) BindingDB Entry DOI: 10.7270/Q2WW7KQR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM281763 (9-(2-acryloyl-1,2,3,4- tetrahydroisoquinolin- 5-yl...) Show SMILES NC(=O)c1cc(F)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3cnccc3[nH]c12 |(.26,5.77,;-1.07,5,;-2.4,5.77,;-1.07,3.46,;.26,2.69,;.26,1.15,;1.6,.38,;-1.07,.38,;-1.07,-1.16,;-2.4,-1.92,;-2.4,-3.46,;-1.07,-4.23,;.26,-3.46,;1.6,-4.23,;2.93,-3.46,;2.93,-1.92,;1.6,-1.16,;.26,-1.92,;4.26,-4.23,;4.26,-5.77,;5.6,-3.46,;6.93,-4.23,;-2.4,1.15,;-3.87,.68,;-4.49,-.73,;-6.03,-.89,;-6.93,.36,;-6.31,1.76,;-4.77,1.92,;-3.87,3.17,;-2.4,2.69,)| Show InChI InChI=1S/C24H19FN4O2/c1-2-20(30)29-9-7-14-13(12-29)4-3-5-15(14)21-18(25)10-16(24(26)31)23-22(21)17-11-27-8-6-19(17)28-23/h2-6,8,10-11,28H,1,7,9,12H2,(H2,26,31)	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	0.000300	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US10023534 (2018) BindingDB Entry DOI: 10.7270/Q2WW7KQR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM281764 (5-(2-acryloyl-1,2,3,4- tetrahydroisoquinolin- 5-yl...) Show SMILES NC(=O)c1cc(Cl)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3CCCCc3[nH]c12 |(.26,5.77,;-1.07,5,;-2.4,5.77,;-1.07,3.46,;.26,2.69,;.26,1.15,;1.6,.38,;-1.07,.38,;-1.07,-1.16,;-2.4,-1.92,;-2.4,-3.46,;-1.07,-4.23,;.26,-3.46,;1.6,-4.23,;2.93,-3.46,;2.93,-1.92,;1.6,-1.16,;.26,-1.92,;4.26,-4.23,;4.26,-5.77,;5.6,-3.46,;6.93,-4.23,;-2.4,1.15,;-3.87,.68,;-4.49,-.73,;-6.03,-.89,;-6.93,.36,;-6.31,1.76,;-4.77,1.92,;-3.87,3.17,;-2.4,2.69,)| Show InChI InChI=1S/C25H24ClN3O2/c1-2-21(30)29-11-10-15-14(13-29)6-5-8-16(15)22-19(26)12-18(25(27)31)24-23(22)17-7-3-4-9-20(17)28-24/h2,5-6,8,12,28H,1,3-4,7,9-11,13H2,(H2,27,31)	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	0.000600	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US10023534 (2018) BindingDB Entry DOI: 10.7270/Q2WW7KQR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM281758 (4-(2-acryloyl-1,2,3,4- tetrahydroisoquinolin- 5-yl...) Show SMILES NC(=O)c1cc(F)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3ccc(CCF)cc3[nH]c12 |(1.95,5.77,;.62,5,;-.72,5.77,;.62,3.46,;1.95,2.69,;1.95,1.15,;3.28,.38,;.62,.38,;.62,-1.16,;-.72,-1.92,;-.72,-3.46,;.62,-4.23,;1.95,-3.46,;3.28,-4.23,;4.62,-3.46,;4.62,-1.92,;3.28,-1.16,;1.95,-1.92,;5.95,-4.23,;5.95,-5.77,;7.28,-3.46,;8.62,-4.23,;-.72,1.15,;-2.18,.68,;-2.81,-.73,;-4.34,-.89,;-5.24,.36,;-6.73,-.04,;-7.13,-1.53,;-8.62,-1.93,;-4.62,1.76,;-3.09,1.92,;-2.18,3.17,;-.72,2.69,)| Show InChI InChI=1S/C27H23F2N3O2/c1-2-23(33)32-11-9-17-16(14-32)4-3-5-18(17)24-21(29)13-20(27(30)34)26-25(24)19-7-6-15(8-10-28)12-22(19)31-26/h2-7,12-13,31H,1,8-11,14H2,(H2,30,34)	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	0.0290	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US10023534 (2018) BindingDB Entry DOI: 10.7270/Q2WW7KQR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165960 (US10604504, Example 206 | US11623921, Example 206 ...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CCN(Cc34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.15,;-5.08,1.15,;-4.18,2.4,;-2.71,1.93,;-1.38,2.69,;-.05,1.93,;-.05,.38,;1.29,-.38,;-1.38,-.38,;-1.38,-1.93,;-2.71,-2.69,;-2.71,-4.23,;-1.38,-5,;-.05,-4.23,;1.29,-5,;2.62,-4.23,;2.62,-2.69,;1.29,-1.93,;-.05,-2.69,;3.96,-1.93,;3.96,-.38,;5.29,-2.69,;6.62,-1.93,;-2.71,.38,;-4.18,-.09,;-4.63,-1.42,;-1.38,4.23,;-.05,5,;-2.71,5,)| Show InChI InChI=1S/C23H22FN3O2/c1-4-19(28)27-9-8-14-6-5-7-15(17(14)11-27)21-18(24)10-16(23(25)29)22-20(21)12(2)13(3)26-22/h4-7,10,26H,1,8-9,11H2,2-3H3,(H2,25,29)	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	0.0400	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US9688629 (2017) BindingDB Entry DOI: 10.7270/Q20863G5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165511 (US10604504, Example 168 | US11623921, Example 168 ...) Show SMILES Cc1[nH]c2c(cc(F)c(N3CC4CCN(C4C3)C(=O)C=C)c2c1C)C(N)=O Show InChI	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	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
Montana State University					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				J Med Chem 50: 4928-38 (2007) BindingDB Entry DOI: 10.7270/Q2474D50
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165960 (US10604504, Example 206 | US11623921, Example 206 ...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CCN(Cc34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.15,;-5.08,1.15,;-4.18,2.4,;-2.71,1.93,;-1.38,2.69,;-.05,1.93,;-.05,.38,;1.29,-.38,;-1.38,-.38,;-1.38,-1.93,;-2.71,-2.69,;-2.71,-4.23,;-1.38,-5,;-.05,-4.23,;1.29,-5,;2.62,-4.23,;2.62,-2.69,;1.29,-1.93,;-.05,-2.69,;3.96,-1.93,;3.96,-.38,;5.29,-2.69,;6.62,-1.93,;-2.71,.38,;-4.18,-.09,;-4.63,-1.42,;-1.38,4.23,;-.05,5,;-2.71,5,)| Show InChI InChI=1S/C23H22FN3O2/c1-4-19(28)27-9-8-14-6-5-7-15(17(14)11-27)21-18(24)10-16(23(25)29)22-20(21)12(2)13(3)26-22/h4-7,10,26H,1,8-9,11H2,2-3H3,(H2,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2X06C0T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165960 (US10604504, Example 206 | US11623921, Example 206 ...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CCN(Cc34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.15,;-5.08,1.15,;-4.18,2.4,;-2.71,1.93,;-1.38,2.69,;-.05,1.93,;-.05,.38,;1.29,-.38,;-1.38,-.38,;-1.38,-1.93,;-2.71,-2.69,;-2.71,-4.23,;-1.38,-5,;-.05,-4.23,;1.29,-5,;2.62,-4.23,;2.62,-2.69,;1.29,-1.93,;-.05,-2.69,;3.96,-1.93,;3.96,-.38,;5.29,-2.69,;6.62,-1.93,;-2.71,.38,;-4.18,-.09,;-4.63,-1.42,;-1.38,4.23,;-.05,5,;-2.71,5,)| Show InChI InChI=1S/C23H22FN3O2/c1-4-19(28)27-9-8-14-6-5-7-15(17(14)11-27)21-18(24)10-16(23(25)29)22-20(21)12(2)13(3)26-22/h4-7,10,26H,1,8-9,11H2,2-3H3,(H2,25,29)	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	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US10604504 (2020) BindingDB Entry DOI: 10.7270/Q2H70JT2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165511 (US10604504, Example 168 | US11623921, Example 168 ...) Show SMILES Cc1[nH]c2c(cc(F)c(N3CC4CCN(C4C3)C(=O)C=C)c2c1C)C(N)=O Show InChI	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	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US10604504 (2020) BindingDB Entry DOI: 10.7270/Q2H70JT2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165960 (US10604504, Example 206 | US11623921, Example 206 ...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CCN(Cc34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.15,;-5.08,1.15,;-4.18,2.4,;-2.71,1.93,;-1.38,2.69,;-.05,1.93,;-.05,.38,;1.29,-.38,;-1.38,-.38,;-1.38,-1.93,;-2.71,-2.69,;-2.71,-4.23,;-1.38,-5,;-.05,-4.23,;1.29,-5,;2.62,-4.23,;2.62,-2.69,;1.29,-1.93,;-.05,-2.69,;3.96,-1.93,;3.96,-.38,;5.29,-2.69,;6.62,-1.93,;-2.71,.38,;-4.18,-.09,;-4.63,-1.42,;-1.38,4.23,;-.05,5,;-2.71,5,)| Show InChI InChI=1S/C23H22FN3O2/c1-4-19(28)27-9-8-14-6-5-7-15(17(14)11-27)21-18(24)10-16(23(25)29)22-20(21)12(2)13(3)26-22/h4-7,10,26H,1,8-9,11H2,2-3H3,(H2,25,29)	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	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
Montana State University					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				J Med Chem 50: 4928-38 (2007) BindingDB Entry DOI: 10.7270/Q2474D50
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165511 (US10604504, Example 168 | US11623921, Example 168 ...) Show SMILES Cc1[nH]c2c(cc(F)c(N3CC4CCN(C4C3)C(=O)C=C)c2c1C)C(N)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2X06C0T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165511 (US10604504, Example 168 | US11623921, Example 168 ...) Show SMILES Cc1[nH]c2c(cc(F)c(N3CC4CCN(C4C3)C(=O)C=C)c2c1C)C(N)=O Show InChI	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	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US9802915 (2017) BindingDB Entry DOI: 10.7270/Q2JW8H17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165511 (US10604504, Example 168 | US11623921, Example 168 ...) Show SMILES Cc1[nH]c2c(cc(F)c(N3CC4CCN(C4C3)C(=O)C=C)c2c1C)C(N)=O Show InChI	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	0.0400	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US9688629 (2017) BindingDB Entry DOI: 10.7270/Q20863G5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165960 (US10604504, Example 206 | US11623921, Example 206 ...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CCN(Cc34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.15,;-5.08,1.15,;-4.18,2.4,;-2.71,1.93,;-1.38,2.69,;-.05,1.93,;-.05,.38,;1.29,-.38,;-1.38,-.38,;-1.38,-1.93,;-2.71,-2.69,;-2.71,-4.23,;-1.38,-5,;-.05,-4.23,;1.29,-5,;2.62,-4.23,;2.62,-2.69,;1.29,-1.93,;-.05,-2.69,;3.96,-1.93,;3.96,-.38,;5.29,-2.69,;6.62,-1.93,;-2.71,.38,;-4.18,-.09,;-4.63,-1.42,;-1.38,4.23,;-.05,5,;-2.71,5,)| Show InChI InChI=1S/C23H22FN3O2/c1-4-19(28)27-9-8-14-6-5-7-15(17(14)11-27)21-18(24)10-16(23(25)29)22-20(21)12(2)13(3)26-22/h4-7,10,26H,1,8-9,11H2,2-3H3,(H2,25,29)	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	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US9802915 (2017) BindingDB Entry DOI: 10.7270/Q2JW8H17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM281750 (5-(2-Acryloyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-...) Show SMILES CC(C)(O)[C@H]1CCc2c(C1)[nH]c1c(cc(F)c(-c3cccc4CN(CCc34)C(=O)C=C)c21)C(N)=O |r,wD:4.3,(-6.93,-1.58,;-6.93,-.04,;-8.42,-.44,;-8.02,1.05,;-5.44,.36,;-4.54,-.89,;-3.01,-.73,;-2.38,.68,;-3.29,1.92,;-4.82,1.76,;-2.38,3.17,;-.92,2.69,;.42,3.46,;1.75,2.69,;1.75,1.15,;3.08,.38,;.42,.38,;.42,-1.16,;-.92,-1.93,;-.92,-3.47,;.42,-4.24,;1.75,-3.47,;3.08,-4.24,;4.42,-3.47,;4.42,-1.93,;3.08,-1.16,;1.75,-1.93,;5.75,-4.24,;5.75,-5.78,;7.09,-3.47,;8.42,-4.24,;-.92,1.15,;.42,5,;1.75,5.78,;-.92,5.77,)| Show InChI	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	0.0450	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US10023534 (2018) BindingDB Entry DOI: 10.7270/Q2WW7KQR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377365 (US10266491, Example 33 | US10676434, Example 33 | ...) Show SMILES CC(C)(O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NS(=O)(=O)C=C)c3)c21)C(N)=O Show InChI InChI=1S/C24H23N3O4S/c1-4-32(30,31)27-16-7-5-6-14(12-16)17-10-11-19(23(25)28)22-21(17)18-9-8-15(24(2,3)29)13-20(18)26-22/h4-13,26-27,29H,1H2,2-3H3,(H2,25,28)	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	0.0460	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Chemistry GmbH					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				J Med Chem 49: 4116-26 (2006) BindingDB Entry DOI: 10.7270/Q26112M3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377365 (US10266491, Example 33 | US10676434, Example 33 | ...) Show SMILES CC(C)(O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NS(=O)(=O)C=C)c3)c21)C(N)=O Show InChI InChI=1S/C24H23N3O4S/c1-4-32(30,31)27-16-7-5-6-14(12-16)17-10-11-19(23(25)28)22-21(17)18-9-8-15(24(2,3)29)13-20(18)26-22/h4-13,26-27,29H,1H2,2-3H3,(H2,25,28)	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	0.0460	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US10676434 (2020) BindingDB Entry DOI: 10.7270/Q2CN76Z8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377392 (US10266491, Example 60) Show SMILES Cc1c(NC(=O)C=C)cccc1-c1c(Cl)cc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O |(3.75,-1.93,;2.42,-2.69,;2.42,-4.23,;3.75,-5,;5.09,-4.23,;5.09,-2.69,;6.42,-5,;7.75,-4.23,;1.08,-5,;-.25,-4.23,;-.25,-2.69,;1.08,-1.93,;1.08,-.38,;2.42,.38,;3.75,-.38,;2.42,1.93,;1.08,2.69,;1.08,4.23,;2.42,5,;-.25,5,;-.25,1.93,;-1.71,2.4,;-2.62,1.15,;-4.15,.99,;-4.78,-.41,;-3.87,-1.66,;-2.34,-1.5,;-1.71,-.09,;-.25,.38,;-6.26,-.81,;-7.75,-.41,;-6.73,.73,;-6.66,-2.3,)| Show InChI	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	0.0470	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Chemistry GmbH					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				J Med Chem 49: 4116-26 (2006) BindingDB Entry DOI: 10.7270/Q26112M3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377391 (US10266491, Example 59 | US10676434, Example 60 | ...) Show SMILES Cc1c(NC(=O)C=C)cccc1-c1c(Cl)cc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O |(3.75,-1.93,;2.42,-2.69,;2.42,-4.23,;3.75,-5,;5.09,-4.23,;5.09,-2.69,;6.42,-5,;7.75,-4.23,;1.08,-5,;-.25,-4.23,;-.25,-2.69,;1.08,-1.93,;1.08,-.38,;2.42,.38,;3.75,-.38,;2.42,1.93,;1.08,2.69,;1.08,4.23,;2.42,5,;-.25,5,;-.25,1.93,;-1.71,2.4,;-2.62,1.15,;-4.15,.99,;-4.78,-.41,;-3.87,-1.66,;-2.34,-1.5,;-1.71,-.09,;-.25,.38,;-6.26,-.81,;-6.26,.73,;-7.75,-.41,;-6.66,-2.3,)| Show InChI	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	0.0470	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US10676434 (2020) BindingDB Entry DOI: 10.7270/Q2CN76Z8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377413 (US10266491, Example 95 | US10676434, Example 95 | ...) Show SMILES NC(=O)c1cc(F)c(-c2ccc3CCN(C(=O)C=C)c3c2)c2c3ccccc3[nH]c12 Show InChI InChI=1S/C24H18FN3O2/c1-2-20(29)28-10-9-13-7-8-14(11-19(13)28)21-17(25)12-16(24(26)30)23-22(21)15-5-3-4-6-18(15)27-23/h2-8,11-12,27H,1,9-10H2,(H2,26,30)	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	0.0490	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Chemistry GmbH					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				J Med Chem 49: 4116-26 (2006) BindingDB Entry DOI: 10.7270/Q26112M3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377413 (US10266491, Example 95 | US10676434, Example 95 | ...) Show SMILES NC(=O)c1cc(F)c(-c2ccc3CCN(C(=O)C=C)c3c2)c2c3ccccc3[nH]c12 Show InChI InChI=1S/C24H18FN3O2/c1-2-20(29)28-10-9-13-7-8-14(11-19(13)28)21-17(25)12-16(24(26)30)23-22(21)15-5-3-4-6-18(15)27-23/h2-8,11-12,27H,1,9-10H2,(H2,26,30)	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	0.0490	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US10676434 (2020) BindingDB Entry DOI: 10.7270/Q2CN76Z8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165458 (US10604504, Example 136 | US11623921, Example 136 ...) Show SMILES Cc1[nH]c2c(cc(F)c(N3CCC[C@@H](C3)NC(=O)C#CC3CC3)c2c1C)C(N)=O |r| Show InChI	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	0.0500	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US9688629 (2017) BindingDB Entry DOI: 10.7270/Q20863G5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165458 (US10604504, Example 136 | US11623921, Example 136 ...) Show SMILES Cc1[nH]c2c(cc(F)c(N3CCC[C@@H](C3)NC(=O)C#CC3CC3)c2c1C)C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2X06C0T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM166569 (US10604504, Example 219 | US11623921, Example 219 ...) Show SMILES Cc1[nH]c2c(cc(F)c(C3CCCN(C3)C(=O)C=C)c2c1C)C(N)=O Show InChI	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	0.0500	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US9688629 (2017) BindingDB Entry DOI: 10.7270/Q20863G5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377415 (US10266491, Example 97 | US10266491, Example 98 | ...) Show SMILES NC(=O)c1cc(F)c(C2CCCN(C2)C(=O)C=C)c2c3ccccc3[nH]c12 Show InChI	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	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US10676434 (2020) BindingDB Entry DOI: 10.7270/Q2CN76Z8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377467 (4-(1-acryloyl-1,2,5,6- tetrahydropyridin-3-yl)-3- ...) Show SMILES NC(=O)c1cc(F)c(C2=CCCN(C2)C(=O)C=C)c2c3ccc(cc3[nH]c12)C(F)(F)F |t:8| Show InChI InChI=1S/C22H17F4N3O2/c1-2-17(30)29-7-3-4-11(10-29)18-15(23)9-14(21(27)31)20-19(18)13-6-5-12(22(24,25)26)8-16(13)28-20/h2,4-6,8-9,28H,1,3,7,10H2,(H2,27,31)	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	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US10676434 (2020) BindingDB Entry DOI: 10.7270/Q2CN76Z8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165458 (US10604504, Example 136 | US11623921, Example 136 ...) Show SMILES Cc1[nH]c2c(cc(F)c(N3CCC[C@@H](C3)NC(=O)C#CC3CC3)c2c1C)C(N)=O |r| Show InChI	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	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US10604504 (2020) BindingDB Entry DOI: 10.7270/Q2H70JT2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377467 (4-(1-acryloyl-1,2,5,6- tetrahydropyridin-3-yl)-3- ...) Show SMILES NC(=O)c1cc(F)c(C2=CCCN(C2)C(=O)C=C)c2c3ccc(cc3[nH]c12)C(F)(F)F |t:8| Show InChI InChI=1S/C22H17F4N3O2/c1-2-17(30)29-7-3-4-11(10-29)18-15(23)9-14(21(27)31)20-19(18)13-6-5-12(22(24,25)26)8-16(13)28-20/h2,4-6,8-9,28H,1,3,7,10H2,(H2,27,31)	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	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Chemistry GmbH					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				J Med Chem 49: 4116-26 (2006) BindingDB Entry DOI: 10.7270/Q26112M3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165458 (US10604504, Example 136 | US11623921, Example 136 ...) Show SMILES Cc1[nH]c2c(cc(F)c(N3CCC[C@@H](C3)NC(=O)C#CC3CC3)c2c1C)C(N)=O |r| Show InChI	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	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Montana State University					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				J Med Chem 50: 4928-38 (2007) BindingDB Entry DOI: 10.7270/Q2474D50
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377415 (US10266491, Example 97 | US10266491, Example 98 | ...) Show SMILES NC(=O)c1cc(F)c(C2CCCN(C2)C(=O)C=C)c2c3ccccc3[nH]c12 Show InChI	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	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Chemistry GmbH					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				J Med Chem 49: 4116-26 (2006) BindingDB Entry DOI: 10.7270/Q26112M3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165458 (US10604504, Example 136 | US11623921, Example 136 ...) Show SMILES Cc1[nH]c2c(cc(F)c(N3CCC[C@@H](C3)NC(=O)C#CC3CC3)c2c1C)C(N)=O |r| Show InChI	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	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US9802915 (2017) BindingDB Entry DOI: 10.7270/Q2JW8H17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377366 (US10266491, Example 34 | US10676434, Example 34 | ...) Show SMILES CC(C)(O)c1ccc2c(c1)[nH]c1c(cc(F)c(-c3cccc(NS(=O)(=O)C=C)c3)c21)C(N)=O Show InChI InChI=1S/C24H22FN3O4S/c1-4-33(31,32)28-15-7-5-6-13(10-15)20-18(25)12-17(23(26)29)22-21(20)16-9-8-14(24(2,3)30)11-19(16)27-22/h4-12,27-28,30H,1H2,2-3H3,(H2,26,29)	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	0.0510	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US10676434 (2020) BindingDB Entry DOI: 10.7270/Q2CN76Z8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377366 (US10266491, Example 34 | US10676434, Example 34 | ...) Show SMILES CC(C)(O)c1ccc2c(c1)[nH]c1c(cc(F)c(-c3cccc(NS(=O)(=O)C=C)c3)c21)C(N)=O Show InChI InChI=1S/C24H22FN3O4S/c1-4-33(31,32)28-15-7-5-6-13(10-15)20-18(25)12-17(23(26)29)22-21(20)16-9-8-14(24(2,3)30)11-19(16)27-22/h4-12,27-28,30H,1H2,2-3H3,(H2,26,29)	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	0.0510	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Chemistry GmbH					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				J Med Chem 49: 4116-26 (2006) BindingDB Entry DOI: 10.7270/Q26112M3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM166569 (US10604504, Example 219 | US11623921, Example 219 ...) Show SMILES Cc1[nH]c2c(cc(F)c(C3CCCN(C3)C(=O)C=C)c2c1C)C(N)=O Show InChI	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	0.0520	n/a	n/a	n/a	n/a	n/a	n/a
Montana State University					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				J Med Chem 50: 4928-38 (2007) BindingDB Entry DOI: 10.7270/Q2474D50
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM166569 (US10604504, Example 219 | US11623921, Example 219 ...) Show SMILES Cc1[nH]c2c(cc(F)c(C3CCCN(C3)C(=O)C=C)c2c1C)C(N)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.0520	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2X06C0T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM166569 (US10604504, Example 219 | US11623921, Example 219 ...) Show SMILES Cc1[nH]c2c(cc(F)c(C3CCCN(C3)C(=O)C=C)c2c1C)C(N)=O Show InChI	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	0.0520	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US10604504 (2020) BindingDB Entry DOI: 10.7270/Q2H70JT2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377404 (US10266491, Example 76 | US10676434, Example 76 | ...) Show SMILES NC(=O)c1cc(F)c(N2CCC[C@@H](C2)NC(=O)C#CC2CC2)c2c3ccccc3[nH]c12 |r| Show InChI	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	0.0520	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Chemistry GmbH					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				J Med Chem 49: 4116-26 (2006) BindingDB Entry DOI: 10.7270/Q26112M3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377404 (US10266491, Example 76 | US10676434, Example 76 | ...) Show SMILES NC(=O)c1cc(F)c(N2CCC[C@@H](C2)NC(=O)C#CC2CC2)c2c3ccccc3[nH]c12 |r| Show InChI	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	0.0520	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US10676434 (2020) BindingDB Entry DOI: 10.7270/Q2CN76Z8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM166569 (US10604504, Example 219 | US11623921, Example 219 ...) Show SMILES Cc1[nH]c2c(cc(F)c(C3CCCN(C3)C(=O)C=C)c2c1C)C(N)=O Show InChI	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	0.0520	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US9802915 (2017) BindingDB Entry DOI: 10.7270/Q2JW8H17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165330 (US10604504, Example 126 | US11623921, Example 126 ...) Show SMILES CCC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |r| Show InChI	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	0.0600	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US9688629 (2017) BindingDB Entry DOI: 10.7270/Q20863G5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165334 (US10604504, Example 128 | US11623921, Example 128 ...) Show SMILES CCCC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2X06C0T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165334 (US10604504, Example 128 | US11623921, Example 128 ...) Show SMILES CCCC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |r| Show InChI	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	0.0600	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US9688629 (2017) BindingDB Entry DOI: 10.7270/Q20863G5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165330 (US10604504, Example 126 | US11623921, Example 126 ...) Show SMILES CCC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2X06C0T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165334 (US10604504, Example 128 | US11623921, Example 128 ...) Show SMILES CCCC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |r| Show InChI	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	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US10604504 (2020) BindingDB Entry DOI: 10.7270/Q2H70JT2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165330 (US10604504, Example 126 | US11623921, Example 126 ...) Show SMILES CCC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |r| Show InChI	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	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US10604504 (2020) BindingDB Entry DOI: 10.7270/Q2H70JT2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165334 (US10604504, Example 128 | US11623921, Example 128 ...) Show SMILES CCCC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |r| Show InChI	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	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Montana State University					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				J Med Chem 50: 4928-38 (2007) BindingDB Entry DOI: 10.7270/Q2474D50
					More data for this Ligand-Target Pair

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