Compile Data Set for Download or QSAR

Found 200 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 2732   

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))	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))	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))	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))	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))	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))	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))	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))	BDBM377370 (US10266491, Example 38 | US10676434, Example 38 | ...) Show SMILES CN(C(=O)C=C)c1cccc(c1)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O Show InChI InChI=1S/C26H24FN3O3/c1-5-21(31)30(4)16-8-6-7-14(11-16)22-19(27)13-18(25(28)32)24-23(22)17-10-9-15(26(2,3)33)12-20(17)29-24/h5-13,29,33H,1H2,2-4H3,(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	0.0610	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))	BDBM377403 (US10266491, Example 118 | US10266491, Example 75 |...) Show SMILES CC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c3ccccc3c12 |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	0.0670	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))	BDBM377363 (US10266491, Example 31 | US10676434, Example 31 | ...) Show SMILES CN(c1cccc(c1)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O)S(=O)(=O)C=C Show InChI InChI=1S/C25H24FN3O4S/c1-5-34(32,33)29(4)16-8-6-7-14(11-16)21-19(26)13-18(24(27)30)23-22(21)17-10-9-15(25(2,3)31)12-20(17)28-23/h5-13,28,31H,1H2,2-4H3,(H2,27,30)	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	0.0690	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))	BDBM377403 (US10266491, Example 118 | US10266491, Example 75 |...) Show SMILES CC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c3ccccc3c12 |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	0.0700	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))	BDBM377430 (Cis-4-(1-acryloylhexahydropyrrolo[3,4-b]pyrrol-5(1...) Show SMILES NC(=O)c1cc(F)c(N2CC3CCN(C3C2)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	0.0700	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))	BDBM377399 (US10266491, Example 69 | US10676434, Example 69 | ...) Show SMILES NC(=O)c1cc(F)c(N2CCC[C@@H](C2)NC(=O)C=C)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	0.0730	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))	BDBM377389 (US10266491, Example 57 | US10266491, Example 58 | ...) Show SMILES CN(C)C(=O)C1CCc2c(C1)[nH]c1c(cc(Cl)c(-c3cccc(NC(=O)C=C)c3C)c21)C(N)=O |(-5.38,-3.39,;-6.46,-2.3,;-7.95,-2.7,;-6.07,-.81,;-7.15,.28,;-4.58,-.41,;-3.67,-1.66,;-2.14,-1.5,;-1.51,-.09,;-2.42,1.15,;-3.95,.99,;-1.51,2.4,;-.05,1.93,;1.28,2.69,;2.62,1.93,;2.62,.38,;3.95,-.38,;1.28,-.38,;1.28,-1.93,;-.05,-2.69,;-.05,-4.23,;1.28,-5,;2.62,-4.23,;3.95,-5,;5.28,-4.23,;5.28,-2.69,;6.62,-5,;7.95,-4.23,;2.62,-2.69,;3.95,-1.93,;-.05,.38,;1.28,4.23,;2.62,5,;-.05,5,)| 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	0.0750	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))	BDBM377347 (US10266491, Example 15 | US10676434, Example 15 | ...) Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C#N Show InChI InChI=1S/C24H18N4O2/c1-3-21(29)27-19-6-4-5-15(13(19)2)16-9-10-18(24(26)30)23-22(16)17-8-7-14(12-25)11-20(17)28-23/h3-11,28H,1H2,2H3,(H2,26,30)(H,27,29)	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	0.0760	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))	BDBM377340 (US10266491, Example 8 | US10676434, Example 8 | US...) Show SMILES Cc1c(NC(=O)C=C)cccc1-c1c(Cl)cc(C(N)=O)c2[nH]c3CC(CO)CCc3c12 |(3.21,-1.93,;1.87,-2.69,;1.87,-4.23,;3.21,-5,;4.54,-4.23,;4.54,-2.69,;5.87,-5,;7.21,-4.23,;.54,-5,;-.79,-4.23,;-.79,-2.69,;.54,-1.93,;.54,-.38,;1.87,.38,;3.21,-.38,;1.87,1.93,;.54,2.69,;.54,4.23,;1.87,5,;-.79,5,;-.79,1.93,;-2.26,2.4,;-3.16,1.15,;-4.7,.99,;-5.32,-.41,;-6.81,-.81,;-7.21,-2.3,;-4.42,-1.66,;-2.89,-1.5,;-2.26,-.09,;-.79,.38,)| 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	0.0780	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))	BDBM377345 (US10266491, Example 13 | US10676434, Example 13 | ...) Show SMILES Cc1c(NS(=O)(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)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	0.0790	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))	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	0.0870	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))	BDBM377348 (US10266491, Example 16 | US10676434, Example 16 | ...) Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(O)CO 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	0.0880	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))	BDBM377426 (Cis-4-(1-acryloyloctahydro-6H-pyrrolo[3,4-b]pyridi...) Show SMILES NC(=O)c1cc(F)c(N2CC3CCCN(C3C2)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	0.0900	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))	BDBM377468 (4-(1-acryloylpiperidin-3-yl)- 3-fluoro-7-(trifluor...) Show SMILES NC(=O)c1cc(F)c(C2CCCN(C2)C(=O)C=C)c2c3ccc(cc3[nH]c12)C(F)(F)F 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	0.0900	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))	BDBM377379 (US10266491, Example 47 | US10676434, Example 47 | ...) Show SMILES Cc1c(NS(=O)(=O)C=C)cccc1-c1c(F)cc(C(N)=O)c2[nH]c3C[C@@H](CCc3c12)C(C)(C)O |r,wU:25.33,(3.75,-1.93,;2.42,-2.69,;2.42,-4.23,;3.75,-5,;5.09,-4.23,;4.32,-2.9,;5.86,-2.9,;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,;-6.66,.68,;-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	0.0950	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))	BDBM377380 (US10266491, Example 48 | US10676434, Example 48 | ...) Show SMILES NC(=O)c1ccc(-c2cccc(NS(=O)(=O)C=C)c2)c2c3CCCCc3[nH]c12 Show InChI InChI=1S/C21H21N3O3S/c1-2-28(26,27)24-14-7-5-6-13(12-14)15-10-11-17(21(22)25)20-19(15)16-8-3-4-9-18(16)23-20/h2,5-7,10-12,23-24H,1,3-4,8-9H2,(H2,22,25)	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	0.0950	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))	BDBM377378 (US10266491, Example 46 | US10676434, Example 46 | ...) Show SMILES CN(c1cccc(c1Cl)-c1ccc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O)S(=O)(=O)C=C 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	0.0990	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))	BDBM377349 (US10266491, Example 17 | US10676434, Example 17 | ...) Show SMILES CC(C)Nc1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(=O)C=C)c3C)c21)C(N)=O Show InChI InChI=1S/C26H26N4O2/c1-5-23(31)29-21-8-6-7-17(15(21)4)18-11-12-20(26(27)32)25-24(18)19-10-9-16(28-14(2)3)13-22(19)30-25/h5-14,28,30H,1H2,2-4H3,(H2,27,32)(H,29,31)	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	0.100	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))	BDBM377389 (US10266491, Example 57 | US10266491, Example 58 | ...) Show SMILES CN(C)C(=O)C1CCc2c(C1)[nH]c1c(cc(Cl)c(-c3cccc(NC(=O)C=C)c3C)c21)C(N)=O |(-5.38,-3.39,;-6.46,-2.3,;-7.95,-2.7,;-6.07,-.81,;-7.15,.28,;-4.58,-.41,;-3.67,-1.66,;-2.14,-1.5,;-1.51,-.09,;-2.42,1.15,;-3.95,.99,;-1.51,2.4,;-.05,1.93,;1.28,2.69,;2.62,1.93,;2.62,.38,;3.95,-.38,;1.28,-.38,;1.28,-1.93,;-.05,-2.69,;-.05,-4.23,;1.28,-5,;2.62,-4.23,;3.95,-5,;5.28,-4.23,;5.28,-2.69,;6.62,-5,;7.95,-4.23,;2.62,-2.69,;3.95,-1.93,;-.05,.38,;1.28,4.23,;2.62,5,;-.05,5,)| 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	0.100	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))	BDBM377407 (3-Fluoro-4-((6-vinylpyridin-3-yl)methyl)-9H-carbaz...) Show SMILES NC(=O)c1cc(F)c(Cc2ccc(C=C)nc2)c2c3ccccc3[nH]c12 Show InChI InChI=1S/C21H16FN3O/c1-2-13-8-7-12(11-24-13)9-15-17(22)10-16(21(23)26)20-19(15)14-5-3-4-6-18(14)25-20/h2-8,10-11,25H,1,9H2,(H2,23,26)	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	0.100	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))	BDBM377414 (US10266491, Example 96 | US10676434, Example 96 | ...) Show SMILES NC(=O)c1cc(F)c(C2=CCCN(C2)C(=O)C=C)c2c3ccccc3[nH]c12 |t:8| Show InChI InChI=1S/C21H18FN3O2/c1-2-17(26)25-9-5-6-12(11-25)18-15(22)10-14(21(23)27)20-19(18)13-7-3-4-8-16(13)24-20/h2-4,6-8,10,24H,1,5,9,11H2,(H2,23,27)	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	0.100	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))	BDBM377422 (Cis-4-(1-(but-2-ynoyl)octahydro-6H-pyrrolo[3,4-b]p...) Show SMILES CC#CC(=O)N1CCCC2CN(CC12)c1c(F)cc(C(N)=O)c2[nH]c3ccccc3c12 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	0.100	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))	BDBM377426 (Cis-4-(1-acryloyloctahydro-6H-pyrrolo[3,4-b]pyridi...) Show SMILES NC(=O)c1cc(F)c(N2CC3CCCN(C3C2)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	0.100	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))	BDBM377437 (5-((S)-3-(But-2-ynamido)piperidin-1-yl)-6-fluoro-2...) Show SMILES CC#CC(=O)N[C@H]1CCCN(C1)c1c2C3CCC(CC3Nc2c(cc1F)C(N)=O)C(C)(C)O |r| Show InChI InChI=1S/C25H33FN4O3/c1-4-6-20(31)28-15-7-5-10-30(13-15)23-18(26)12-17(24(27)32)22-21(23)16-9-8-14(25(2,3)33)11-19(16)29-22/h12,14-16,19,29,33H,5,7-11,13H2,1-3H3,(H2,27,32)(H,28,31)/t14?,15-,16?,19?/m0/s1	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	0.100	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))	BDBM377470 ((S)-4-(3- acrylamidopiperidin-1-yl)-3- fluoro-7-(t...) Show SMILES NC(=O)c1cc(F)c(N2CCC[C@@H](C2)NC(=O)C=C)c2c3ccc(cc3[nH]c12)C(F)(F)F |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	0.100	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))	BDBM377479 ((S)-4-(3-(but-2-ynamido) piperidin-1-yl)-3-fluoro-...) Show SMILES CC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(=O)N1CCN(C)CC1 |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	0.100	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))	BDBM377487 (4-(1-acryloylindolin-6-yl)-3- fluoro-7-(2-hydroxye...) Show SMILES NC(=O)c1cc(F)c(-c2ccc3CCN(C(=O)C=C)c3c2)c2c3ccc(CCO)cc3[nH]c12 Show InChI InChI=1S/C26H22FN3O3/c1-2-22(32)30-9-7-15-4-5-16(12-21(15)30)23-19(27)13-18(26(28)33)25-24(23)17-6-3-14(8-10-31)11-20(17)29-25/h2-6,11-13,29,31H,1,7-10H2,(H2,28,33)	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	0.100	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))	BDBM377344 (US10266491, Example 12 | US10676434, Example 12 | ...) Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c3CCCCc3c12 Show InChI InChI=1S/C23H23N3O2/c1-3-20(27)25-18-10-6-8-14(13(18)2)15-11-12-17(23(24)28)22-21(15)16-7-4-5-9-19(16)26-22/h3,6,8,10-12,26H,1,4-5,7,9H2,2H3,(H2,24,28)(H,25,27)	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	0.110	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))	BDBM377360 (US10266491, Example 28 | US10676434, Example 28 | ...) Show SMILES CN(c1cccc(c1)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O)S(=O)(=O)C=C Show InChI InChI=1S/C25H25N3O4S/c1-5-33(31,32)28(4)17-8-6-7-15(13-17)18-11-12-20(24(26)29)23-22(18)19-10-9-16(25(2,3)30)14-21(19)27-23/h5-14,27,30H,1H2,2-4H3,(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	0.110	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))	BDBM377381 (US10266491, Example 49 | US10676434, Example 49 | ...) Show SMILES Cc1c(NS(=O)(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c3CCCCc3c12 Show InChI InChI=1S/C22H23N3O3S/c1-3-29(27,28)25-18-10-6-8-14(13(18)2)15-11-12-17(22(23)26)21-20(15)16-7-4-5-9-19(16)24-21/h3,6,8,10-12,24-25H,1,4-5,7,9H2,2H3,(H2,23,26)	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	0.110	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))	BDBM377361 (US10266491, Example 29 | US10676434, Example 29 | ...) Show SMILES Cc1c(NS(=O)(=O)C=C)cccc1-c1c(F)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,;4.32,-2.9,;5.86,-2.9,;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,;-6.66,.68,;-7.75,-.41,;-6.66,-2.3,)| Show InChI InChI=1S/C25H24FN3O4S/c1-5-34(32,33)29-19-8-6-7-15(13(19)2)21-18(26)12-17(24(27)30)23-22(21)16-10-9-14(25(3,4)31)11-20(16)28-23/h5-12,28-29,31H,1H2,2-4H3,(H2,27,30)	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	0.120	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))	BDBM377362 (US10266491, Example 30 | US10676434, Example 30 | ...) Show SMILES CN(c1cccc(c1C)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O)S(=O)(=O)C=C |(3.75,-5.78,;3.75,-4.23,;2.42,-3.47,;1.08,-4.23,;-.25,-3.47,;-.25,-1.93,;1.08,-1.15,;2.42,-1.93,;3.75,-1.15,;1.08,.38,;2.42,1.15,;3.75,.39,;2.42,2.69,;1.08,3.47,;1.08,5,;2.42,5.78,;-.25,5.78,;-.25,2.69,;-1.71,3.17,;-2.62,1.93,;-4.15,1.76,;-4.78,.36,;-3.87,-.89,;-2.34,-.73,;-1.71,.68,;-.25,1.15,;-6.26,-.04,;-6.66,1.45,;-7.75,.36,;-6.66,-1.53,;5.09,-3.47,;4.32,-2.13,;5.86,-2.13,;6.42,-4.23,;7.75,-3.47,)| Show InChI InChI=1S/C26H26FN3O4S/c1-6-35(33,34)30(5)21-9-7-8-16(14(21)2)22-19(27)13-18(25(28)31)24-23(22)17-11-10-15(26(3,4)32)12-20(17)29-24/h6-13,29,32H,1H2,2-5H3,(H2,28,31)	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	0.120	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))	BDBM377401 (US10266491, Example 73 | US10676434, Example 73 | ...) Show SMILES CC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c3CCC(F)(F)Cc3c12 |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	0.120	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))	BDBM377418 (3-Fluoro-4-((2-vinylpyridin-4-yl)methyl)-9H-carbaz...) Show SMILES NC(=O)c1cc(F)c(Cc2ccnc(C=C)c2)c2c3ccccc3[nH]c12 Show InChI InChI=1S/C21H16FN3O/c1-2-13-9-12(7-8-24-13)10-15-17(22)11-16(21(23)26)20-19(15)14-5-3-4-6-18(14)25-20/h2-9,11,25H,1,10H2,(H2,23,26)	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	0.120	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))	BDBM377338 (US10266491, Example 6 | US10676434, Example 6 | US...) 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,;-6.66,.68,;-6.66,-2.3,)| Show InChI InChI=1S/C26H24ClN3O3/c1-5-21(31)29-19-8-6-7-15(13(19)2)22-18(27)12-17(25(28)32)24-23(22)16-10-9-14(26(3,4)33)11-20(16)30-24/h5-12,30,33H,1H2,2-4H3,(H2,28,32)(H,29,31)	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	0.130	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	0.130	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))	BDBM377359 (US10266491, Example 27 | US10676434, Example 27 | ...) Show SMILES CN(c1cccc(c1C)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O)S(=O)(=O)C=C Show InChI InChI=1S/C26H27N3O4S/c1-6-34(32,33)29(5)22-9-7-8-17(15(22)2)18-12-13-20(25(27)30)24-23(18)19-11-10-16(26(3,4)31)14-21(19)28-24/h6-14,28,31H,1H2,2-5H3,(H2,27,30)	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	0.140	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))	BDBM377356 (US10266491, Example 24 | US10676434, Example 24 | ...) Show SMILES CN(c1cccc(c1)-c1c(F)cc(C(N)=O)c2[nH]c3C[C@@H](CCc3c12)C(C)(C)O)S(=O)(=O)C=C |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	0.150	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))	BDBM377364 (US10266491, Example 32 | US10676434, Example 32 | ...) Show SMILES Cc1c(NS(=O)(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O Show InChI InChI=1S/C25H25N3O4S/c1-5-33(31,32)28-20-8-6-7-16(14(20)2)17-11-12-19(24(26)29)23-22(17)18-10-9-15(25(3,4)30)13-21(18)27-23/h5-13,27-28,30H,1H2,2-4H3,(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	0.160	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))	BDBM377369 (US10266491, Example 37 | US11053197, Example 37) Show SMILES CN(C(=O)C=C)c1cccc(c1)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O Show InChI InChI=1S/C26H25N3O3/c1-5-22(30)29(4)17-8-6-7-15(13-17)18-11-12-20(25(27)31)24-23(18)19-10-9-16(26(2,3)32)14-21(19)28-24/h5-14,28,32H,1H2,2-4H3,(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	0.160	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))	BDBM377373 (US10266491, Example 41 | US10676434, Example 41 | ...) Show SMILES CC(C)(O)[C@@H]1CCc2c(C1)[nH]c1c(ccc(-c3cccc(NS(=O)(=O)C=C)c3)c21)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	0.160	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))	BDBM377369 (US10266491, Example 37 | US11053197, Example 37) Show SMILES CN(C(=O)C=C)c1cccc(c1)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O Show InChI InChI=1S/C26H25N3O3/c1-5-22(30)29(4)17-8-6-7-15(13-17)18-11-12-20(25(27)31)24-23(18)19-10-9-16(26(2,3)32)14-21(19)28-24/h5-14,28,32H,1H2,2-4H3,(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	0.160	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))	BDBM377333 ((RS)-5-(3-Acrylamidophenyl)-2-(2-hydroxypropan-2-y...) Show SMILES CC(C)(O)C1CCc2c(C1)[nH]c1c(ccc(-c3cccc(NC(=O)C=C)c3)c21)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	0.170	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

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