Compile Data Set for Download or QSAR

Found 531 hits with Last Name = 'wilson' and Initial = 'ns'   

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 ITK/TSK (Homo sapiens (Human))	BDBM50212764 (CHEMBL233338 | N-(1-(3-aminopropyl)-5-(N-methylcyc...) Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCCN)c(NC(=O)c3cccs3)nc2c1 Show InChI InChI=1S/C23H29N5O2S/c1-27(22(30)16-7-3-2-4-8-16)17-10-11-19-18(15-17)25-23(28(19)13-6-12-24)26-21(29)20-9-5-14-31-20/h5,9-11,14-16H,2-4,6-8,12-13,24H2,1H3,(H,25,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human ITK by DELFIA assay				Bioorg Med Chem Lett 17: 3660-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.045 BindingDB Entry DOI: 10.7270/Q2CV4HF6
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50566082 (CHEMBL4779359) Show SMILES CN1CCN(Cc2ccc(-c3c[nH]c4ccncc34)c(OCCc3ccc(cc3)-c3cccc4ccncc34)c2)CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of probe-5 binding to human TNFalpha (77 to 233 residues) at 1 nM by fluorescence polarization assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01280 BindingDB Entry DOI: 10.7270/Q2DZ0D2V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50212789 (1-(5-amino-5-oxopentyl)-N-cyclohexyl-N-methyl-2-(t...) Show SMILES CN(C1CCCCC1)C(=O)c1ccc2n(CCCCC(N)=O)c(NC(=O)c3cccs3)nc2c1 Show InChI InChI=1S/C25H31N5O3S/c1-29(18-8-3-2-4-9-18)24(33)17-12-13-20-19(16-17)27-25(28-23(32)21-10-7-15-34-21)30(20)14-6-5-11-22(26)31/h7,10,12-13,15-16,18H,2-6,8-9,11,14H2,1H3,(H2,26,31)(H,27,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human ITK by DELFIA assay				Bioorg Med Chem Lett 17: 3660-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.045 BindingDB Entry DOI: 10.7270/Q2CV4HF6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50212761 (1-(3-amino-3-oxopropyl)-N-cyclohexyl-N-methyl-2-(o...) Show SMILES CN(C1CCCCC1)C(=O)c1ccc2n(CCC(N)=O)c(NC(=O)c3cnco3)nc2c1 Show InChI InChI=1S/C22H26N6O4/c1-27(15-5-3-2-4-6-15)21(31)14-7-8-17-16(11-14)25-22(28(17)10-9-19(23)29)26-20(30)18-12-24-13-32-18/h7-8,11-13,15H,2-6,9-10H2,1H3,(H2,23,29)(H,25,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human ITK by DELFIA assay				Bioorg Med Chem Lett 17: 3660-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.045 BindingDB Entry DOI: 10.7270/Q2CV4HF6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50212770 (1-(3-amino-3-oxopropyl)-N-cyclohexyl-N-methyl-2-(n...) Show SMILES CN(C1CCCCC1)C(=O)c1ccc2n(CCC(N)=O)c(NC(=O)c3cccnc3)nc2c1 Show InChI InChI=1S/C24H28N6O3/c1-29(18-7-3-2-4-8-18)23(33)16-9-10-20-19(14-16)27-24(30(20)13-11-21(25)31)28-22(32)17-6-5-12-26-15-17/h5-6,9-10,12,14-15,18H,2-4,7-8,11,13H2,1H3,(H2,25,31)(H,27,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human ITK by DELFIA assay				Bioorg Med Chem Lett 17: 3660-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.045 BindingDB Entry DOI: 10.7270/Q2CV4HF6
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50566088 (CHEMBL4793924) Show SMILES [H][C@]12CNC(=O)N1CCN(C2)c1ncc(cn1)-c1ccc2C(=O)C(C)(C)N(Cc3cccnc3C#N)c2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of probe-5 binding to human TNFalpha (77 to 233 residues) at 1 nM by fluorescence polarization assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01280 BindingDB Entry DOI: 10.7270/Q2DZ0D2V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50212760 (1-(3-amino-3-oxopropyl)-N-cyclohexyl-N-methyl-2-(4...) Show SMILES CN(C1CCCCC1)C(=O)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)[N+]([O-])=O)nc2c1 Show InChI InChI=1S/C25H28N6O5/c1-29(18-5-3-2-4-6-18)24(34)17-9-12-21-20(15-17)27-25(30(21)14-13-22(26)32)28-23(33)16-7-10-19(11-8-16)31(35)36/h7-12,15,18H,2-6,13-14H2,1H3,(H2,26,32)(H,27,28,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human ITK by DELFIA assay				Bioorg Med Chem Lett 17: 3660-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.045 BindingDB Entry DOI: 10.7270/Q2CV4HF6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50212788 (1-(3-amino-3-oxopropyl)-2-(4-bromobenzamido)-N-cyc...) Show SMILES CCN(C1CCCCC1)C(=O)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(Br)cc3)nc2c1 Show InChI InChI=1S/C26H30BrN5O3/c1-2-31(20-6-4-3-5-7-20)25(35)18-10-13-22-21(16-18)29-26(32(22)15-14-23(28)33)30-24(34)17-8-11-19(27)12-9-17/h8-13,16,20H,2-7,14-15H2,1H3,(H2,28,33)(H,29,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human ITK by DELFIA assay				Bioorg Med Chem Lett 17: 3660-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.045 BindingDB Entry DOI: 10.7270/Q2CV4HF6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50212776 (CHEMBL233365 | N-cyclohexyl-1-(3-hydroxypropyl)-N-...) Show SMILES CN(C1CCCCC1)C(=O)c1ccc2n(CCCO)c(NC(=O)c3cccs3)nc2c1 Show InChI InChI=1S/C23H28N4O3S/c1-26(17-7-3-2-4-8-17)22(30)16-10-11-19-18(15-16)24-23(27(19)12-6-13-28)25-21(29)20-9-5-14-31-20/h5,9-11,14-15,17,28H,2-4,6-8,12-13H2,1H3,(H,24,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human ITK by DELFIA assay				Bioorg Med Chem Lett 17: 3660-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.045 BindingDB Entry DOI: 10.7270/Q2CV4HF6
					More data for this Ligand-Target Pair
Tumor necrosis factor (Mus musculus)	BDBM50566088 (CHEMBL4793924) Show SMILES [H][C@]12CNC(=O)N1CCN(C2)c1ncc(cn1)-c1ccc2C(=O)C(C)(C)N(Cc3cccnc3C#N)c2c1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TNFalpha in mouse L929 cells exposed to compound incubated for 1 hr with mouse TNFalpha by luminescence based assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01280 BindingDB Entry DOI: 10.7270/Q2DZ0D2V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287470 (US9567339, Example K.1.1) Show SMILES Cc1c(cccc1-n1cnc2ccccc2c1=O)-c1ccc(C(N)=O)c2[nH]c(cc12)-c1cnn(C[C@H](O)CO)c1 |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))	BDBM287471 (US9567339, Example M.1.1) Show SMILES Cn1cc(cn1)-c1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(c1CO)-n1cnc2ccc(F)cc2c1=O Show InChI InChI=1S/C28H21FN6O3/c1-34-12-15(11-32-34)24-10-20-18(6-7-19(27(30)37)26(20)33-24)17-3-2-4-25(22(17)13-36)35-14-31-23-8-5-16(29)9-21(23)28(35)38/h2-12,14,33,36H,13H2,1H3,(H2,30,37)	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))	BDBM287472 (US9567339, Example M.1.2) Show SMILES Cc1c(cccc1-n1cnc2ccccc2c1=O)-c1ccc(C(N)=O)c2[nH]c(cc12)-c1cnn(CCO)c1 Show InChI InChI=1S/C29H24N6O3/c1-17-19(6-4-8-26(17)35-16-31-24-7-3-2-5-21(24)29(35)38)20-9-10-22(28(30)37)27-23(20)13-25(33-27)18-14-32-34(15-18)11-12-36/h2-10,13-16,33,36H,11-12H2,1H3,(H2,30,37)	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))	BDBM287475 (US9567339, Example O.1.3*) Show SMILES CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccc(C(N)=O)c2[nH]1)N1CCC[C@H](C1)N1CCn2ccnc2C1=O |r,c:7| 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))	BDBM287476 (US9567339, Example O.1.4*) Show SMILES CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccc(C(N)=O)c2[nH]1)N1CCC[C@H](C1)n1ccn2ccnc2c1=O |r,c:7| 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))	BDBM287477 (US9567339, Example O.1.5*) Show SMILES Cc1nc(co1)C(=O)NC1CCCN(C1)c1ccc(C(N)=O)c2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:31| 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))	BDBM287489 (US9567339, Example O.1.19*) Show SMILES Cn1cc(cn1)-c1cc2c(ccc(C(N)=O)c2[nH]1)N1CCC[C@H](C1)NC(=O)c1ccc(cc1)C(C)(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))	BDBM287495 (US9567339, Example O.1.25*) Show SMILES Cn1cc(cn1)-c1cc2c(ccc(C(N)=O)c2[nH]1)N1CCC[C@H](C1)NC(=O)c1ccc(cc1)C1CC1 |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))	BDBM287496 (US9567339, Example O.1.26) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1ccc(C(N)=O)c2[nH]c(cc12)-c1cccnc1 |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))	BDBM287500 (US9567339, Example U.1.2) Show SMILES Cc1ccc(cc1)-c1cc2c(ccc(C(N)=O)c2[nH]1)-c1nccs1 Show InChI InChI=1S/C19H15N3OS/c1-11-2-4-12(5-3-11)16-10-15-13(19-21-8-9-24-19)6-7-14(18(20)23)17(15)22-16/h2-10,22H,1H3,(H2,20,23)	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))	BDBM287503 (US9567339, Example 5.2) Show SMILES CN(C1CN(C1)C(=O)C=C)c1ccc(C(N)=O)c2[nH]c(cc12)[C@H]1CCOC1 |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))	BDBM287506 (US9567339, Example 4.1) Show SMILES Cn1cc(cn1)-c1cc2c(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))	BDBM287507 (US9567339, Example 4.2) Show SMILES Cn1cc(cn1)-c1cc2c(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))	BDBM287151 (US9567339, Example A.1.2) Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c(cc12)-c1ccnn1C1CCCCO1 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))	BDBM287153 (US9567339, Example A.1.4) Show SMILES CC(C)n1cc(cn1)-c1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(NC(=O)C=C)c1C Show InChI InChI=1S/C25H25N5O2/c1-5-23(31)28-21-8-6-7-17(15(21)4)18-9-10-19(25(26)32)24-20(18)11-22(29-24)16-12-27-30(13-16)14(2)3/h5-14,29H,1H2,2-4H3,(H2,26,32)(H,28,31)	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))	BDBM287154 (US9567339, Example A.1.5) Show SMILES Cc1nn(C)cc1-c1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(NC(=O)C=C)c1C Show InChI InChI=1S/C24H23N5O2/c1-5-22(30)26-20-8-6-7-15(13(20)2)16-9-10-17(24(25)31)23-18(16)11-21(27-23)19-12-29(4)28-14(19)3/h5-12,27H,1H2,2-4H3,(H2,25,31)(H,26,30)	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))	BDBM287155 (US9567339, Example A.1.6) Show SMILES CCn1cc(cn1)-c1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(NC(=O)C=C)c1C Show InChI InChI=1S/C24H23N5O2/c1-4-22(30)27-20-8-6-7-16(14(20)3)17-9-10-18(24(25)31)23-19(17)11-21(28-23)15-12-26-29(5-2)13-15/h4,6-13,28H,1,5H2,2-3H3,(H2,25,31)(H,27,30)	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))	BDBM287156 (US9567339, Example A.1.7) Show SMILES CC(C)Cn1cc(cn1)-c1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(NC(=O)C=C)c1C Show InChI InChI=1S/C26H27N5O2/c1-5-24(32)29-22-8-6-7-18(16(22)4)19-9-10-20(26(27)33)25-21(19)11-23(30-25)17-12-28-31(14-17)13-15(2)3/h5-12,14-15,30H,1,13H2,2-4H3,(H2,27,33)(H,29,32)	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))	BDBM287157 (US9567339, Example A.1.8) Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c(cc12)-c1cnn(CCN2CCOCC2)c1 Show InChI InChI=1S/C28H30N6O3/c1-3-26(35)31-24-6-4-5-20(18(24)2)21-7-8-22(28(29)36)27-23(21)15-25(32-27)19-16-30-34(17-19)10-9-33-11-13-37-14-12-33/h3-8,15-17,32H,1,9-14H2,2H3,(H2,29,36)(H,31,35)	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))	BDBM287159 (US9567339, Example A.1.10) Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c(cc12)-c1cncnc1 Show InChI InChI=1S/C23H19N5O2/c1-3-21(29)27-19-6-4-5-15(13(19)2)16-7-8-17(23(24)30)22-18(16)9-20(28-22)14-10-25-12-26-11-14/h3-12,28H,1H2,2H3,(H2,24,30)(H,27,29)	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))	BDBM287160 (US9567339, Example A.1.11) Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c(cc12)-c1ccnn1C Show InChI InChI=1S/C23H21N5O2/c1-4-21(29)26-18-7-5-6-14(13(18)2)15-8-9-16(23(24)30)22-17(15)12-19(27-22)20-10-11-25-28(20)3/h4-12,27H,1H2,2-3H3,(H2,24,30)(H,26,29)	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))	BDBM287161 (US9567339, Example A.1.12) Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c(cc12)-c1ccncc1 Show InChI InChI=1S/C24H20N4O2/c1-3-22(29)27-20-6-4-5-16(14(20)2)17-7-8-18(24(25)30)23-19(17)13-21(28-23)15-9-11-26-12-10-15/h3-13,28H,1H2,2H3,(H2,25,30)(H,27,29)	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))	BDBM287162 (US9567339, Example A.1.13) Show SMILES COc1cc(ccn1)-c1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(NC(=O)C=C)c1C Show InChI InChI=1S/C25H22N4O3/c1-4-22(30)28-20-7-5-6-16(14(20)2)17-8-9-18(25(26)31)24-19(17)13-21(29-24)15-10-11-27-23(12-15)32-3/h4-13,29H,1H2,2-3H3,(H2,26,31)(H,28,30)	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))	BDBM287163 (US9567339, Example A.1.14) Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c(cc12)-c1cccc(c1)C#N Show InChI InChI=1S/C26H20N4O2/c1-3-24(31)29-22-9-5-8-18(15(22)2)19-10-11-20(26(28)32)25-21(19)13-23(30-25)17-7-4-6-16(12-17)14-27/h3-13,30H,1H2,2H3,(H2,28,32)(H,29,31)	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))	BDBM287164 (US9567339, Example A.1.15) Show SMILES CC(=O)Nc1cccc(c1)-c1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(NC(=O)C=C)c1C Show InChI InChI=1S/C27H24N4O3/c1-4-25(33)30-23-10-6-9-19(15(23)2)20-11-12-21(27(28)34)26-22(20)14-24(31-26)17-7-5-8-18(13-17)29-16(3)32/h4-14,31H,1H2,2-3H3,(H2,28,34)(H,29,32)(H,30,33)	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))	BDBM287165 (US9567339, Example A.1.16) Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c(cc12)-c1ccc(F)nc1 Show InChI InChI=1S/C24H19FN4O2/c1-3-22(30)28-19-6-4-5-15(13(19)2)16-8-9-17(24(26)31)23-18(16)11-20(29-23)14-7-10-21(25)27-12-14/h3-12,29H,1H2,2H3,(H2,26,31)(H,28,30)	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))	BDBM287166 (US9567339, Example A.1.17) Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c(cc12)-c1cccnc1F Show InChI InChI=1S/C24H19FN4O2/c1-3-21(30)28-19-8-4-6-14(13(19)2)15-9-10-17(24(26)31)22-18(15)12-20(29-22)16-7-5-11-27-23(16)25/h3-12,29H,1H2,2H3,(H2,26,31)(H,28,30)	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))	BDBM287167 (US9567339, Example A.1.18) Show SMILES COc1ncccc1-c1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(NC(=O)C=C)c1C Show InChI InChI=1S/C25H22N4O3/c1-4-22(30)28-20-9-5-7-15(14(20)2)16-10-11-18(24(26)31)23-19(16)13-21(29-23)17-8-6-12-27-25(17)32-3/h4-13,29H,1H2,2-3H3,(H2,26,31)(H,28,30)	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))	BDBM287168 (US9567339, Example A.1.19) Show SMILES COC(=O)c1cccc(c1)-c1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(NC(=O)C=C)c1C Show InChI InChI=1S/C27H23N3O4/c1-4-24(31)29-22-10-6-9-18(15(22)2)19-11-12-20(26(28)32)25-21(19)14-23(30-25)16-7-5-8-17(13-16)27(33)34-3/h4-14,30H,1H2,2-3H3,(H2,28,32)(H,29,31)	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))	BDBM287169 (US9567339, Example A.1.20) Show SMILES COC(=O)c1ccc(cc1)-c1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(NC(=O)C=C)c1C Show InChI InChI=1S/C27H23N3O4/c1-4-24(31)29-22-7-5-6-18(15(22)2)19-12-13-20(26(28)32)25-21(19)14-23(30-25)16-8-10-17(11-9-16)27(33)34-3/h4-14,30H,1H2,2-3H3,(H2,28,32)(H,29,31)	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))	BDBM287170 (US9567339, Example A.1.21) Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c(cc12)-c1ccc2OCCc2c1 Show InChI InChI=1S/C27H23N3O3/c1-3-25(31)29-22-6-4-5-18(15(22)2)19-8-9-20(27(28)32)26-21(19)14-23(30-26)16-7-10-24-17(13-16)11-12-33-24/h3-10,13-14,30H,1,11-12H2,2H3,(H2,28,32)(H,29,31)	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))	BDBM287171 (US9567339, Example A.1.22) Show SMILES COc1cccc(c1)-c1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(NC(=O)C=C)c1C Show InChI InChI=1S/C26H23N3O3/c1-4-24(30)28-22-10-6-9-18(15(22)2)19-11-12-20(26(27)31)25-21(19)14-23(29-25)16-7-5-8-17(13-16)32-3/h4-14,29H,1H2,2-3H3,(H2,27,31)(H,28,30)	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))	BDBM287172 (US9567339, Example A.1.23) Show SMILES COc1ccc(cc1)-c1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(NC(=O)C=C)c1C Show InChI InChI=1S/C26H23N3O3/c1-4-24(30)28-22-7-5-6-18(15(22)2)19-12-13-20(26(27)31)25-21(19)14-23(29-25)16-8-10-17(32-3)11-9-16/h4-14,29H,1H2,2-3H3,(H2,27,31)(H,28,30)	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))	BDBM287173 (US9567339, Example A.1.24) Show SMILES Cc1ccc(cn1)-c1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(NC(=O)C=C)c1C Show InChI InChI=1S/C25H22N4O2/c1-4-23(30)28-21-7-5-6-17(15(21)3)18-10-11-19(25(26)31)24-20(18)12-22(29-24)16-9-8-14(2)27-13-16/h4-13,29H,1H2,2-3H3,(H2,26,31)(H,28,30)	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))	BDBM287174 (US9567339, Example A.1.25) Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c(cc12)-c1cccc(c1)C(N)=O Show InChI InChI=1S/C26H22N4O3/c1-3-23(31)29-21-9-5-8-17(14(21)2)18-10-11-19(26(28)33)24-20(18)13-22(30-24)15-6-4-7-16(12-15)25(27)32/h3-13,30H,1H2,2H3,(H2,27,32)(H2,28,33)(H,29,31)	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))	BDBM287175 (US9567339, Example A.1.26) Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c(cc12)-c1cccc(F)c1 Show InChI InChI=1S/C25H20FN3O2/c1-3-23(30)28-21-9-5-8-17(14(21)2)18-10-11-19(25(27)31)24-20(18)13-22(29-24)15-6-4-7-16(26)12-15/h3-13,29H,1H2,2H3,(H2,27,31)(H,28,30)	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))	BDBM287176 (US9567339, Example A.1.27) Show SMILES CN(C)c1cccc(c1)-c1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(NC(=O)C=C)c1C Show InChI InChI=1S/C27H26N4O2/c1-5-25(32)29-23-11-7-10-19(16(23)2)20-12-13-21(27(28)33)26-22(20)15-24(30-26)17-8-6-9-18(14-17)31(3)4/h5-15,30H,1H2,2-4H3,(H2,28,33)(H,29,32)	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))	BDBM287178 (US9567339, Example A.1.29) Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c(cc12)-c1ccccc1F Show InChI InChI=1S/C25H20FN3O2/c1-3-23(30)28-21-10-6-8-15(14(21)2)16-11-12-18(25(27)31)24-19(16)13-22(29-24)17-7-4-5-9-20(17)26/h3-13,29H,1H2,2H3,(H2,27,31)(H,28,30)	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))	BDBM287179 (US9567339, Example A.1.30) Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c(cc12)-c1ccc(nc1)N1CCOCC1 Show InChI InChI=1S/C28H27N5O3/c1-3-26(34)31-23-6-4-5-19(17(23)2)20-8-9-21(28(29)35)27-22(20)15-24(32-27)18-7-10-25(30-16-18)33-11-13-36-14-12-33/h3-10,15-16,32H,1,11-14H2,2H3,(H2,29,35)(H,31,34)	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))	BDBM287180 (US9567339, Example A.1.31) Show SMILES CN1CCN(CC1)C(=O)c1cccc(c1)-c1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(NC(=O)C=C)c1C Show InChI InChI=1S/C31H31N5O3/c1-4-28(37)33-26-10-6-9-22(19(26)2)23-11-12-24(30(32)38)29-25(23)18-27(34-29)20-7-5-8-21(17-20)31(39)36-15-13-35(3)14-16-36/h4-12,17-18,34H,1,13-16H2,2-3H3,(H2,32,38)(H,33,37)	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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