Compile Data Set for Download or QSAR

Found 636 hits with Last Name = 'van epps' and Initial = 's'   

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 JAK1 (Homo sapiens (Human))	BDBM50426739 (CHEMBL2322135) Show SMILES C1CCC(CC1)c1n[nH]c2cnc3[nH]ccc3c12 Show InChI InChI=1S/C14H16N4/c1-2-4-9(5-3-1)13-12-10-6-7-15-14(10)16-8-11(12)17-18-13/h6-9H,1-5H2,(H,15,16)(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-dependent STAT3 phosphorylation				Bioorg Med Chem Lett 23: 693-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.108 BindingDB Entry DOI: 10.7270/Q2DN46CT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50426734 (CHEMBL2322142) Show SMILES C1CCC(CC1)c1cnc2cnc3[nH]ccc3n12 Show InChI InChI=1S/C14H16N4/c1-2-4-10(5-3-1)12-8-16-13-9-17-14-11(18(12)13)6-7-15-14/h6-10,15H,1-5H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-dependent STAT3 phosphorylation				Bioorg Med Chem Lett 23: 693-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.108 BindingDB Entry DOI: 10.7270/Q2DN46CT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50426739 (CHEMBL2322135) Show SMILES C1CCC(CC1)c1n[nH]c2cnc3[nH]ccc3c12 Show InChI InChI=1S/C14H16N4/c1-2-4-9(5-3-1)13-12-10-6-7-15-14(10)16-8-11(12)17-18-13/h6-9H,1-5H2,(H,15,16)(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) after 2.5 hrs by time-resolved fluorescence resonance energy transfer assay in presence of 1 uM ATP				Bioorg Med Chem Lett 23: 693-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.108 BindingDB Entry DOI: 10.7270/Q2DN46CT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50426732 (CHEMBL2322134) Show SMILES C1CCC(CC1)c1ncc2cnc3[nH]ccc3n12 Show InChI InChI=1S/C14H16N4/c1-2-4-10(5-3-1)14-17-9-11-8-16-13-12(18(11)14)6-7-15-13/h6-10,15H,1-5H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-dependent STAT3 phosphorylation				Bioorg Med Chem Lett 23: 693-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.108 BindingDB Entry DOI: 10.7270/Q2DN46CT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50426737 (CHEMBL2322137) Show SMILES C1CCC(CC1)c1noc2cnc3[nH]ccc3c12 Show InChI InChI=1S/C14H15N3O/c1-2-4-9(5-3-1)13-12-10-6-7-15-14(10)16-8-11(12)18-17-13/h6-9H,1-5H2,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-dependent STAT3 phosphorylation				Bioorg Med Chem Lett 23: 693-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.108 BindingDB Entry DOI: 10.7270/Q2DN46CT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50393756 (CHEMBL2159198) Show SMILES Cc1nc2cnc3[nH]ccc3c2n1C1CCCCC1 Show InChI InChI=1S/C15H18N4/c1-10-18-13-9-17-15-12(7-8-16-15)14(13)19(10)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-dependent STAT3 phosphorylation				Bioorg Med Chem Lett 23: 693-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.108 BindingDB Entry DOI: 10.7270/Q2DN46CT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50426733 (CHEMBL2322143) Show SMILES C1CCC(CC1)c1ccc2cnc3[nH]ccc3n12 Show InChI InChI=1S/C15H17N3/c1-2-4-11(5-3-1)13-7-6-12-10-17-15-14(18(12)13)8-9-16-15/h6-11,16H,1-5H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-dependent STAT3 phosphorylation				Bioorg Med Chem Lett 23: 693-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.108 BindingDB Entry DOI: 10.7270/Q2DN46CT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50426735 (CHEMBL2322141) Show SMILES C1CCC(CC1)c1nnc2cnc3[nH]ccc3n12 Show InChI InChI=1S/C13H15N5/c1-2-4-9(5-3-1)13-17-16-11-8-15-12-10(18(11)13)6-7-14-12/h6-9,14H,1-5H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-dependent STAT3 phosphorylation				Bioorg Med Chem Lett 23: 693-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.108 BindingDB Entry DOI: 10.7270/Q2DN46CT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50426737 (CHEMBL2322137) Show SMILES C1CCC(CC1)c1noc2cnc3[nH]ccc3c12 Show InChI InChI=1S/C14H15N3O/c1-2-4-9(5-3-1)13-12-10-6-7-15-14(10)16-8-11(12)18-17-13/h6-9H,1-5H2,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) after 2.5 hrs by time-resolved fluorescence resonance energy transfer assay in presence of 1 uM ATP				Bioorg Med Chem Lett 23: 693-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.108 BindingDB Entry DOI: 10.7270/Q2DN46CT
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50426733 (CHEMBL2322143) Show SMILES C1CCC(CC1)c1ccc2cnc3[nH]ccc3n12 Show InChI InChI=1S/C15H17N3/c1-2-4-11(5-3-1)13-7-6-12-10-17-15-14(18(12)13)8-9-16-15/h6-11,16H,1-5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of Aurora 1 (unknown origin) after 2.5 hrs by time-resolved fluorescence resonance energy transfer assay in presence of 100 uM ATP				Bioorg Med Chem Lett 23: 693-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.108 BindingDB Entry DOI: 10.7270/Q2DN46CT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50426731 (1-cyclohexyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-...) Show SMILES C1CCC(CC1)n1cnc2cnc3[nH]ccc3c12 Show InChI InChI=1S/C14H16N4/c1-2-4-10(5-3-1)18-9-17-12-8-16-14-11(13(12)18)6-7-15-14/h6-10H,1-5H2,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-dependent STAT3 phosphorylation				Bioorg Med Chem Lett 23: 693-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.108 BindingDB Entry DOI: 10.7270/Q2DN46CT
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50426734 (CHEMBL2322142) Show SMILES C1CCC(CC1)c1cnc2cnc3[nH]ccc3n12 Show InChI InChI=1S/C14H16N4/c1-2-4-10(5-3-1)12-8-16-13-9-17-14-11(18(12)13)6-7-15-14/h6-10,15H,1-5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of Aurora 1 (unknown origin) after 2.5 hrs by time-resolved fluorescence resonance energy transfer assay in presence of 100 uM ATP				Bioorg Med Chem Lett 23: 693-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.108 BindingDB Entry DOI: 10.7270/Q2DN46CT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50426736 (CHEMBL2322139) Show SMILES FC(F)(F)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1 Show InChI InChI=1S/C15H15F3N4/c16-15(17,18)14-21-11-8-20-13-10(6-7-19-13)12(11)22(14)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-dependent STAT3 phosphorylation				Bioorg Med Chem Lett 23: 693-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.108 BindingDB Entry DOI: 10.7270/Q2DN46CT
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50426739 (CHEMBL2322135) Show SMILES C1CCC(CC1)c1n[nH]c2cnc3[nH]ccc3c12 Show InChI InChI=1S/C14H16N4/c1-2-4-9(5-3-1)13-12-10-6-7-15-14(10)16-8-11(12)17-18-13/h6-9H,1-5H2,(H,15,16)(H,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of TYK2 (unknown origin) after 2.5 hrs by time-resolved fluorescence resonance energy transfer assay in presence of 1 uM ATP				Bioorg Med Chem Lett 23: 693-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.108 BindingDB Entry DOI: 10.7270/Q2DN46CT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50426738 (CHEMBL2322136) Show SMILES Cn1nc(C2CCCCC2)c2c3cc[nH]c3ncc12 Show InChI InChI=1S/C15H18N4/c1-19-12-9-17-15-11(7-8-16-15)13(12)14(18-19)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) after 2.5 hrs by time-resolved fluorescence resonance energy transfer assay in presence of 1 uM ATP				Bioorg Med Chem Lett 23: 693-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.108 BindingDB Entry DOI: 10.7270/Q2DN46CT
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50426737 (CHEMBL2322137) Show SMILES C1CCC(CC1)c1noc2cnc3[nH]ccc3c12 Show InChI InChI=1S/C14H15N3O/c1-2-4-9(5-3-1)13-12-10-6-7-15-14(10)16-8-11(12)18-17-13/h6-9H,1-5H2,(H,15,16)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of TYK2 (unknown origin) after 2.5 hrs by time-resolved fluorescence resonance energy transfer assay in presence of 1 uM ATP				Bioorg Med Chem Lett 23: 693-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.108 BindingDB Entry DOI: 10.7270/Q2DN46CT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50426738 (CHEMBL2322136) Show SMILES Cn1nc(C2CCCCC2)c2c3cc[nH]c3ncc12 Show InChI InChI=1S/C15H18N4/c1-19-12-9-17-15-11(7-8-16-15)13(12)14(18-19)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-dependent STAT3 phosphorylation				Bioorg Med Chem Lett 23: 693-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.108 BindingDB Entry DOI: 10.7270/Q2DN46CT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50426735 (CHEMBL2322141) Show SMILES C1CCC(CC1)c1nnc2cnc3[nH]ccc3n12 Show InChI InChI=1S/C13H15N5/c1-2-4-9(5-3-1)13-17-16-11-8-15-12-10(18(11)13)6-7-14-12/h6-9,14H,1-5H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) after 2.5 hrs by time-resolved fluorescence resonance energy transfer assay in presence of 1 uM ATP				Bioorg Med Chem Lett 23: 693-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.108 BindingDB Entry DOI: 10.7270/Q2DN46CT
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50426739 (CHEMBL2322135) Show SMILES C1CCC(CC1)c1n[nH]c2cnc3[nH]ccc3c12 Show InChI InChI=1S/C14H16N4/c1-2-4-9(5-3-1)13-12-10-6-7-15-14(10)16-8-11(12)17-18-13/h6-9H,1-5H2,(H,15,16)(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of KDR (unknown origin) after 2.5 hrs by time-resolved fluorescence resonance energy transfer assay in presence of 100 uM ATP				Bioorg Med Chem Lett 23: 693-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.108 BindingDB Entry DOI: 10.7270/Q2DN46CT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287233 (US9567339, Example A.7.2) Show SMILES Cc1c(cccc1-n1cnc2ccccc2c1=O)-c1ccc(C(N)=O)c2[nH]c(cc12)-c1cccnc1 Show InChI InChI=1S/C29H21N5O2/c1-17-19(8-4-10-26(17)34-16-32-24-9-3-2-7-21(24)29(34)36)20-11-12-22(28(30)35)27-23(20)14-25(33-27)18-6-5-13-31-15-18/h2-16,33H,1H3,(H2,30,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287259 (US9567339, Example A.10.3) Show SMILES Cc1c(cccc1-c1ccc(C(N)=O)c2[nH]c(cc12)-c1cnn(C)c1)N(C1COC1)C(=O)c1nccs1 Show InChI InChI=1S/C27H24N6O3S/c1-15-18(4-3-5-23(15)33(17-13-36-14-17)27(35)26-29-8-9-37-26)19-6-7-20(25(28)34)24-21(19)10-22(31-24)16-11-30-32(2)12-16/h3-12,17,31H,13-14H2,1-2H3,(H2,28,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287358 (US9567339, Example E.1.4) Show SMILES NC(=O)c1ccc(-c2cncc(NC(=O)C=C)c2)c2cc[nH]c12 Show InChI InChI=1S/C17H14N4O2/c1-2-15(22)21-11-7-10(8-19-9-11)12-3-4-14(17(18)23)16-13(12)5-6-20-16/h2-9,20H,1H2,(H2,18,23)(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287375 (US9567339, Example E.1.21) Show SMILES NC(=O)c1ccc(-c2cc(NC(=O)C=C)cc(F)c2F)c2cc[nH]c12 Show InChI InChI=1S/C18H13F2N3O2/c1-2-15(24)23-9-7-13(16(20)14(19)8-9)10-3-4-12(18(21)25)17-11(10)5-6-22-17/h2-8,22H,1H2,(H2,21,25)(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287270 (US9567339, Example A.15.1) Show SMILES Cn1cc(cn1)-c1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 Show InChI InChI=1S/C32H26FN5O3/c1-37-15-20(14-35-37)27-13-24-22(7-8-23(31(34)40)30(24)36-27)21-3-2-4-28(25(21)16-39)38-10-9-18-11-19(17-5-6-17)12-26(33)29(18)32(38)41/h2-4,7-15,17,36,39H,5-6,16H2,1H3,(H2,34,40)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287411 (US9567339, Example E.9.10) Show SMILES CN(C1CN(C1)C(=O)C=C)c1ccc(C(N)=O)c2[nH]c(cc12)-c1ccc(nc1)N1CCOCC1 Show InChI InChI=1S/C25H28N6O3/c1-3-23(32)31-14-17(15-31)29(2)21-6-5-18(25(26)33)24-19(21)12-20(28-24)16-4-7-22(27-13-16)30-8-10-34-11-9-30/h3-7,12-13,17,28H,1,8-11,14-15H2,2H3,(H2,26,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287409 (US9567339, Example E.9.7) Show SMILES Cc1cc2c(ccc(C(N)=O)c2[nH]1)[C@@H]1CCCN(C1)C(=O)C=C |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287410 (US9567339, Example E.9.8) Show SMILES Cc1cc2c(ccc(C(N)=O)c2[nH]1)[C@H]1CCCN(C1)C(=O)C=C |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287412 (US9567339, Example E.9.11) Show SMILES CN(C1CN(C1)C(=O)C=C)c1ccc(C(N)=O)c2[nH]c(cc12)-c1cnc2CCOCc2c1 Show InChI InChI=1S/C24H25N5O3/c1-3-22(30)29-11-16(12-29)28(2)21-5-4-17(24(25)31)23-18(21)9-20(27-23)14-8-15-13-32-7-6-19(15)26-10-14/h3-5,8-10,16,27H,1,6-7,11-13H2,2H3,(H2,25,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287413 (US9567339, Example E.9.12) Show SMILES CN(C1CN(C1)C(=O)C=C)c1ccc(C(N)=O)c2[nH]c(cc12)-c1ccc2CCCOc2c1 Show InChI InChI=1S/C25H26N4O3/c1-3-23(30)29-13-17(14-29)28(2)21-9-8-18(25(26)31)24-19(21)12-20(27-24)16-7-6-15-5-4-10-32-22(15)11-16/h3,6-9,11-12,17,27H,1,4-5,10,13-14H2,2H3,(H2,26,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287414 (US9567339, Example E.9.13) Show SMILES CN(C1CN(C1)C(=O)C=C)c1ccc(C(N)=O)c2[nH]c(cc12)-c1ccc(CN2CCOCC2)cn1 Show InChI InChI=1S/C26H30N6O3/c1-3-24(33)32-15-18(16-32)30(2)23-7-5-19(26(27)34)25-20(23)12-22(29-25)21-6-4-17(13-28-21)14-31-8-10-35-11-9-31/h3-7,12-13,18,29H,1,8-11,14-16H2,2H3,(H2,27,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287416 (US9567339, Example E.9.15) Show SMILES CN(C1CN(C1)C(=O)C=C)c1ccc(C(N)=O)c2[nH]c(cc12)-c1ccc2OCCNc2c1 Show InChI InChI=1S/C24H25N5O3/c1-3-22(30)29-12-15(13-29)28(2)20-6-5-16(24(25)31)23-17(20)11-18(27-23)14-4-7-21-19(10-14)26-8-9-32-21/h3-7,10-11,15,26-27H,1,8-9,12-13H2,2H3,(H2,25,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287417 (US9567339, Example E.9.16) Show SMILES CN(C1CN(C1)C(=O)C=C)c1ccc(C(N)=O)c2[nH]c(cc12)-c1ccnn1C Show InChI InChI=1S/C20H22N6O2/c1-4-18(27)26-10-12(11-26)24(2)16-6-5-13(20(21)28)19-14(16)9-15(23-19)17-7-8-22-25(17)3/h4-9,12,23H,1,10-11H2,2-3H3,(H2,21,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287418 (US9567339, Example E.9.17) Show SMILES CCN1CCc2cc(ccc2C1)-c1cc2c(ccc(C(N)=O)c2[nH]1)N(C)C1CN(C1)C(=O)C=C Show InChI InChI=1S/C27H31N5O2/c1-4-25(33)32-15-20(16-32)30(3)24-9-8-21(27(28)34)26-22(24)13-23(29-26)18-6-7-19-14-31(5-2)11-10-17(19)12-18/h4,6-9,12-13,20,29H,1,5,10-11,14-16H2,2-3H3,(H2,28,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287419 (US9567339, Example E.9.18) Show SMILES CN(C1CN(C1)C(=O)C=C)c1ccc(C(N)=O)c2[nH]c(cc12)-c1cn(C)nc1C Show InChI InChI=1S/C21H24N6O2/c1-5-19(28)27-9-13(10-27)26(4)18-7-6-14(21(22)29)20-15(18)8-17(23-20)16-11-25(3)24-12(16)2/h5-8,11,13,23H,1,9-10H2,2-4H3,(H2,22,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287420 (US9567339, Example E.9.19) Show SMILES CN(C1CN(C1)C(=O)C=C)c1ccc(C(N)=O)c2[nH]c(cc12)C1CCS(=O)(=O)CC1 Show InChI InChI=1S/C21H26N4O4S/c1-3-19(26)25-11-14(12-25)24(2)18-5-4-15(21(22)27)20-16(18)10-17(23-20)13-6-8-30(28,29)9-7-13/h3-5,10,13-14,23H,1,6-9,11-12H2,2H3,(H2,22,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287421 (US9567339, Example E.9.20) Show SMILES CCCN1CCC(CC1)c1cc2c(ccc(C(N)=O)c2[nH]1)N(C)C1CN(C1)C(=O)C=C Show InChI InChI=1S/C24H33N5O2/c1-4-10-28-11-8-16(9-12-28)20-13-19-21(7-6-18(24(25)31)23(19)26-20)27(3)17-14-29(15-17)22(30)5-2/h5-7,13,16-17,26H,2,4,8-12,14-15H2,1,3H3,(H2,25,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287422 (US9567339, Example E.9.21) Show SMILES CN(C1CN(C1)C(=O)C=C)c1ccc(C(N)=O)c2[nH]c(cc12)C1CCOC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287425 (US9567339, Example E.9.24) Show SMILES Cn1cc(cn1)-c1cc2c(ccc(C(N)=O)c2[nH]1)[C@H]1CN(CCO1)C(=O)C=C |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287426 (US9567339, Example E.9.25) Show SMILES CN(C1CN(C1)C(=O)C=C)c1ccc(C(N)=O)c2[nH]c(C)cc12 Show InChI InChI=1S/C17H20N4O2/c1-4-15(22)21-8-11(9-21)20(3)14-6-5-12(17(18)23)16-13(14)7-10(2)19-16/h4-7,11,19H,1,8-9H2,2-3H3,(H2,18,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287427 (US9567339, Example E.9.26) Show SMILES NC(=O)c1ccc([C@H]2CCN(C2)C(=O)C=C)c2cc([nH]c12)-c1cc2COCCn2n1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287428 (US9567339, Example E.9.27) Show SMILES NC(=O)c1ccc([C@@H]2CCN(C2)C(=O)C=C)c2cc([nH]c12)-c1cc2COCCn2n1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287429 (US9567339, Example E.9.28) Show SMILES C[C@H](C1CN(C1)C(=O)C=C)c1ncc(C(N)=O)c2[nH]ccc12 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287431 (US9567339, Example E.9.30) Show SMILES NC(=O)c1cnc([C@@H]2COCCN(C2)C(=O)C=C)c2cc[nH]c12 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287433 (US9567339, Example E.9.32) Show SMILES NC(=O)c1cnc([C@@H]2CCCN(C2)C(=O)C=C)c2cc[nH]c12 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287435 (US9567339, Example E.9.34) Show SMILES NC(=O)c1ncc(NC2CN(C2)C(=O)C=C)c2cc[nH]c12 Show InChI InChI=1S/C14H15N5O2/c1-2-11(20)19-6-8(7-19)18-10-5-17-13(14(15)21)12-9(10)3-4-16-12/h2-5,8,16,18H,1,6-7H2,(H2,15,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287436 (US9567339, Example E.9.35) Show SMILES CN(c1ccc(C(N)=O)c2[nH]ccc12)C1(C)CN(C1)C(=O)C=C Show InChI InChI=1S/C17H20N4O2/c1-4-14(22)21-9-17(2,10-21)20(3)13-6-5-12(16(18)23)15-11(13)7-8-19-15/h4-8,19H,1,9-10H2,2-3H3,(H2,18,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287437 (US9567339, Example E.9.36) Show SMILES Cn1cc(cn1)-c1nc2c(cnc(C(N)=O)c2s1)[C@H]1CCCN(C1)C(=O)C=C |r| Show InChI InChI=1S/C19H20N6O2S/c1-3-14(26)25-6-4-5-11(10-25)13-8-21-16(18(20)27)17-15(13)23-19(28-17)12-7-22-24(2)9-12/h3,7-9,11H,1,4-6,10H2,2H3,(H2,20,27)/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287438 (US9567339, Example E.9.37) Show SMILES Cn1cc(cn1)-c1nc2c(cnc(C(N)=O)c2s1)[C@@H]1CCCN(C1)C(=O)C=C |r| Show InChI InChI=1S/C19H20N6O2S/c1-3-14(26)25-6-4-5-11(10-25)13-8-21-16(18(20)27)17-15(13)23-19(28-17)12-7-22-24(2)9-12/h3,7-9,11H,1,4-6,10H2,2H3,(H2,20,27)/t11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287439 (US9567339, Example E.9.38) Show SMILES NC(=O)c1ccc([C@@H]2COCCN(C2)C(=O)C=C)c2cc[nH]c12 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287451 (US9567339, Example E.9.50) Show SMILES NC(=O)c1ccc([C@@H]2CC[C@H](C2)NC(=O)C=C)c2cc[nH]c12 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
					More data for this Ligand-Target Pair

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