Compile Data Set for Download or QSAR

Found 841 hits with Last Name = 'frank' and Initial = 'e'   

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
Steroid 17-alpha-hydroxylase/17,20 lyase (Rattus norvegicus (Rat))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES [H][C@@]12CC=C(c3cccnc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |t:3,23| Show InChI InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21-,22-,23-,24+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Szeged Curated by ChEMBL					Assay Description Inhibition of Wistar rat testicular C17,20-lyase using [3H]17-hydroxyprogesterone as substrate preincubated for 20 mins				Eur J Med Chem 70: 649-60 (2013) Article DOI: 10.1016/j.ejmech.2013.10.038 BindingDB Entry DOI: 10.7270/Q2C24XVM
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50305006 (5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...) Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12 Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)	PDB MMDB NCI pathway 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	19	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2				Bioorg Med Chem Lett 20: 334-7 (2010) Article DOI: 10.1016/j.bmcl.2009.10.103 BindingDB Entry DOI: 10.7270/Q2VD6ZJJ
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50305013 (3-(2-amino-7-(7-(benzo[b]thiophen-2-yl)-1H-indazol...) Show SMILES Nc1ncc2n(CCC(O)=O)cc(-c3cc(-c4cc5ccccc5s4)c4[nH]ncc4c3)c2n1 Show InChI InChI=1S/C24H18N6O2S/c25-24-26-11-18-23(28-24)17(12-30(18)6-5-21(31)32)14-7-15-10-27-29-22(15)16(8-14)20-9-13-3-1-2-4-19(13)33-20/h1-4,7-12H,5-6H2,(H,27,29)(H,31,32)(H2,25,26,28)	PDB MMDB NCI pathway 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	20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2				Bioorg Med Chem Lett 20: 334-7 (2010) Article DOI: 10.1016/j.bmcl.2009.10.103 BindingDB Entry DOI: 10.7270/Q2VD6ZJJ
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50305006 (5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...) Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12 Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of IKK1				Bioorg Med Chem Lett 20: 334-7 (2010) Article DOI: 10.1016/j.bmcl.2009.10.103 BindingDB Entry DOI: 10.7270/Q2VD6ZJJ
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50305007 (5-(3-aminopropyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-...) Show SMILES NCCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12 Show InChI InChI=1S/C24H21N7S/c25-6-3-7-31-13-18(23-19(31)12-27-24(26)29-23)15-8-16-11-28-30-22(16)17(9-15)21-10-14-4-1-2-5-20(14)32-21/h1-2,4-5,8-13H,3,6-7,25H2,(H,28,30)(H2,26,27,29)	PDB MMDB NCI pathway 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	35	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2				Bioorg Med Chem Lett 20: 334-7 (2010) Article DOI: 10.1016/j.bmcl.2009.10.103 BindingDB Entry DOI: 10.7270/Q2VD6ZJJ
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50305010 (3-(2-amino-7-(7-(benzo[b]thiophen-2-yl)-1H-indazol...) Show SMILES Nc1ncc2n(CCCO)cc(-c3cc(-c4cc5ccccc5s4)c4[nH]ncc4c3)c2n1 Show InChI InChI=1S/C24H20N6OS/c25-24-26-12-19-23(28-24)18(13-30(19)6-3-7-31)15-8-16-11-27-29-22(16)17(9-15)21-10-14-4-1-2-5-20(14)32-21/h1-2,4-5,8-13,31H,3,6-7H2,(H,27,29)(H2,25,26,28)	PDB MMDB NCI pathway 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	37	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2				Bioorg Med Chem Lett 20: 334-7 (2010) Article DOI: 10.1016/j.bmcl.2009.10.103 BindingDB Entry DOI: 10.7270/Q2VD6ZJJ
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50305014 (3-(2-amino-7-(7-(benzo[b]thiophen-2-yl)-1H-indazol...) Show SMILES NC(=O)CCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12 Show InChI InChI=1S/C24H19N7OS/c25-21(32)5-6-31-12-17(23-18(31)11-27-24(26)29-23)14-7-15-10-28-30-22(15)16(8-14)20-9-13-3-1-2-4-19(13)33-20/h1-4,7-12H,5-6H2,(H2,25,32)(H,28,30)(H2,26,27,29)	PDB MMDB NCI pathway 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	41	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2				Bioorg Med Chem Lett 20: 334-7 (2010) Article DOI: 10.1016/j.bmcl.2009.10.103 BindingDB Entry DOI: 10.7270/Q2VD6ZJJ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk2 (Homo sapiens (Human))	BDBM50305006 (5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...) Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12 Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of CHK2				Bioorg Med Chem Lett 20: 334-7 (2010) Article DOI: 10.1016/j.bmcl.2009.10.103 BindingDB Entry DOI: 10.7270/Q2VD6ZJJ
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50305006 (5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...) Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12 Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)	PDB MMDB NCI pathway 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	53	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of pdk1				Bioorg Med Chem Lett 20: 334-7 (2010) Article DOI: 10.1016/j.bmcl.2009.10.103 BindingDB Entry DOI: 10.7270/Q2VD6ZJJ
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50305003 (7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5H-p...) Show SMILES Nc1ncc2[nH]cc(-c3cc(-c4cc5ccccc5s4)c4n[nH]cc4c3)c2n1 Show InChI InChI=1S/C21H14N6S/c22-21-24-10-16-20(26-21)15(9-23-16)12-5-13-8-25-27-19(13)14(6-12)18-7-11-3-1-2-4-17(11)28-18/h1-10,23H,(H,25,27)(H2,22,24,26)	PDB MMDB NCI pathway 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	56	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2				Bioorg Med Chem Lett 20: 334-7 (2010) Article DOI: 10.1016/j.bmcl.2009.10.103 BindingDB Entry DOI: 10.7270/Q2VD6ZJJ
					More data for this Ligand-Target Pair
Protein kinase C eta type (Homo sapiens (Human))	BDBM50305006 (5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...) Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12 Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PKCeta				Bioorg Med Chem Lett 20: 334-7 (2010) Article DOI: 10.1016/j.bmcl.2009.10.103 BindingDB Entry DOI: 10.7270/Q2VD6ZJJ
					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
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287182 (US9567339, Example A.1.33) Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c(cc12)-c1ccccc1 Show InChI InChI=1S/C25H21N3O2/c1-3-23(29)27-21-11-7-10-17(15(21)2)18-12-13-19(25(26)30)24-20(18)14-22(28-24)16-8-5-4-6-9-16/h3-14,28H,1H2,2H3,(H2,26,30)(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))	BDBM287184 (US9567339, Example A.1.35) Show SMILES CN(C)C(=O)c1ccc(cc1)-c1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(NC(=O)C=C)c1C Show InChI InChI=1S/C28H26N4O3/c1-5-25(33)30-23-8-6-7-19(16(23)2)20-13-14-21(27(29)34)26-22(20)15-24(31-26)17-9-11-18(12-10-17)28(35)32(3)4/h5-15,31H,1H2,2-4H3,(H2,29,34)(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))	BDBM287185 (US9567339, Example A.1.36) Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c(cc12)-c1cccnc1 Show InChI InChI=1S/C24H20N4O2/c1-3-22(29)27-20-8-4-7-16(14(20)2)17-9-10-18(24(25)30)23-19(17)12-21(28-23)15-6-5-11-26-13-15/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))	BDBM287186 (US9567339, Example A.1.37) Show SMILES Cc1c(NC(O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c(cc12)-c1ccc(cc1)C(=O)N1CCOCC1 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))	BDBM287187 (US9567339, Example A.1.38) Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c(cc12)-c1ccc(cc1)C(=O)N1CCCC1 Show InChI InChI=1S/C30H28N4O3/c1-3-27(35)32-25-8-6-7-21(18(25)2)22-13-14-23(29(31)36)28-24(22)17-26(33-28)19-9-11-20(12-10-19)30(37)34-15-4-5-16-34/h3,6-14,17,33H,1,4-5,15-16H2,2H3,(H2,31,36)(H,32,35)	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))	BDBM287188 (US9567339, Example A.1.39) Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(NC(=O)C=C)c1C Show InChI InChI=1S/C31H31N5O3/c1-4-28(37)33-26-7-5-6-22(19(26)2)23-12-13-24(30(32)38)29-25(23)18-27(34-29)20-8-10-21(11-9-20)31(39)36-16-14-35(3)15-17-36/h4-13,18,34H,1,14-17H2,2-3H3,(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
Tyrosine-protein kinase BTK [393-659] (Homo sapiens (Human))	BDBM287189 (US9567339, Example A.1.40) Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c(cc12)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C26H23N3O4S/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(11-9-16)34(3,32)33/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))	BDBM287191 (US9567339, Example A.1.42) Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c(cc12)-c1ccc(cc1)C#N Show InChI InChI=1S/C26H20N4O2/c1-3-24(31)29-22-6-4-5-18(15(22)2)19-11-12-20(26(28)32)25-21(19)13-23(30-25)17-9-7-16(14-27)8-10-17/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))	BDBM287192 (US9567339, Example A.1.43) Show SMILES COc1ccccc1-c1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(NC(=O)C=C)c1C Show InChI InChI=1S/C26H23N3O3/c1-4-24(30)28-21-10-7-9-16(15(21)2)17-12-13-19(26(27)31)25-20(17)14-22(29-25)18-8-5-6-11-23(18)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))	BDBM287193 (US9567339, Example A.1.44) Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c(cc12)-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C30H30N4O3/c1-3-28(35)32-26-6-4-5-22(19(26)2)23-11-12-24(30(31)36)29-25(23)17-27(33-29)21-9-7-20(8-10-21)18-34-13-15-37-16-14-34/h3-12,17,33H,1,13-16,18H2,2H3,(H2,31,36)(H,32,35)	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))	BDBM287194 (US9567339, Example A.1.45) Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c(cc12)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C26H22N4O3/c1-3-23(31)29-21-6-4-5-17(14(21)2)18-11-12-19(26(28)33)24-20(18)13-22(30-24)15-7-9-16(10-8-15)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))	BDBM287195 (US9567339, Example A.2.1) Show SMILES Cc1c(NC(=O)c2nccs2)cccc1-c1ccc(C(N)=O)c2[nH]c(cc12)-c1ccc(=O)n(C)c1 Show InChI InChI=1S/C26H21N5O3S/c1-14-16(4-3-5-20(14)30-25(34)26-28-10-11-35-26)17-7-8-18(24(27)33)23-19(17)12-21(29-23)15-6-9-22(32)31(2)13-15/h3-13,29H,1-2H3,(H2,27,33)(H,30,34)	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))	BDBM287196 (US9567339, Example A.2.2) Show SMILES Cc1c(NC(=O)c2nccs2)cccc1-c1ccc(C(N)=O)c2[nH]c(cc12)-c1cnn(C)c1 Show InChI InChI=1S/C24H20N6O2S/c1-13-15(4-3-5-19(13)29-23(32)24-26-8-9-33-24)16-6-7-17(22(25)31)21-18(16)10-20(28-21)14-11-27-30(2)12-14/h3-12,28H,1-2H3,(H2,25,31)(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))	BDBM287197 (US9567339, Example A.3.1 | US9567339, Example E.8....) Show SMILES CC(=O)N1CCC(=CC1)c1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(c1C)-n1cnc2ccccc2c1=O |c:6| Show InChI InChI=1S/C31H27N5O3/c1-18-21(7-5-9-28(18)36-17-33-26-8-4-3-6-23(26)31(36)39)22-10-11-24(30(32)38)29-25(22)16-27(34-29)20-12-14-35(15-13-20)19(2)37/h3-12,16-17,34H,13-15H2,1-2H3,(H2,32,38)	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))	BDBM287199 (US9567339, Example A.3.3) Show SMILES CC(=O)N1CCC(=CC1)c1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(NC(=O)c2ccc(cc2)C(C)(C)C)c1C |c:6| Show InChI InChI=1S/C34H36N4O3/c1-20-25(7-6-8-29(20)37-33(41)23-9-11-24(12-10-23)34(3,4)5)26-13-14-27(32(35)40)31-28(26)19-30(36-31)22-15-17-38(18-16-22)21(2)39/h6-15,19,36H,16-18H2,1-5H3,(H2,35,40)(H,37,41)	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))	BDBM287200 (US9567339, Example A.3.4) Show SMILES CC(=O)N1CCC(=CC1)c1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(NC(=O)c2nccs2)c1C |c:6| Show InChI InChI=1S/C27H25N5O3S/c1-15-18(4-3-5-22(15)31-26(35)27-29-10-13-36-27)19-6-7-20(25(28)34)24-21(19)14-23(30-24)17-8-11-32(12-9-17)16(2)33/h3-8,10,13-14,30H,9,11-12H2,1-2H3,(H2,28,34)(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))	BDBM287201 (US9567339, Example A.3.5) Show SMILES CC(=O)N1CCC(=CC1)c1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(NC(=O)c2cc3CCCCc3s2)c1C |c:6| Show InChI InChI=1S/C32H32N4O3S/c1-18-22(7-5-8-26(18)35-32(39)29-16-21-6-3-4-9-28(21)40-29)23-10-11-24(31(33)38)30-25(23)17-27(34-30)20-12-14-36(15-13-20)19(2)37/h5,7-8,10-12,16-17,34H,3-4,6,9,13-15H2,1-2H3,(H2,33,38)(H,35,39)	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))	BDBM287202 (US9567339, Example A.3.6) Show SMILES CC(=O)N1CCC(=CC1)c1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(NC(=O)c2ccc(cc2)C2CC2)c1C |c:6| Show InChI InChI=1S/C33H32N4O3/c1-19-25(4-3-5-29(19)36-33(40)24-10-8-22(9-11-24)21-6-7-21)26-12-13-27(32(34)39)31-28(26)18-30(35-31)23-14-16-37(17-15-23)20(2)38/h3-5,8-14,18,21,35H,6-7,15-17H2,1-2H3,(H2,34,39)(H,36,40)	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))	BDBM287203 (US9567339, Example A.3.7) Show SMILES CC(=O)N1CCC(=CC1)c1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(NC(=O)c2ccc(cc2)C(F)F)c1C |c:6| Show InChI InChI=1S/C31H28F2N4O3/c1-17-22(4-3-5-26(17)36-31(40)21-8-6-20(7-9-21)29(32)33)23-10-11-24(30(34)39)28-25(23)16-27(35-28)19-12-14-37(15-13-19)18(2)38/h3-12,16,29,35H,13-15H2,1-2H3,(H2,34,39)(H,36,40)	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))	BDBM287204 (US9567339, Example A.3.8) Show SMILES CC(=O)N1CCC(=CC1)c1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(NC(=O)c2ccc(cc2)C(C)(C)C#N)c1C |c:6| Show InChI InChI=1S/C34H33N5O3/c1-20-25(6-5-7-29(20)38-33(42)23-8-10-24(11-9-23)34(3,4)19-35)26-12-13-27(32(36)41)31-28(26)18-30(37-31)22-14-16-39(17-15-22)21(2)40/h5-14,18,37H,15-17H2,1-4H3,(H2,36,41)(H,38,42)	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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