Compile Data Set for Download or QSAR

Found 976 hits with Last Name = 'mckibben' and Initial = 'b'   

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
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50051653 ((5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-...) Show SMILES C[C@@H](Nc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C22H22N4/c1-14-15(2)23-21-19(14)22(24-16(3)17-10-6-4-7-11-17)26-20(25-21)18-12-8-5-9-13-18/h4-13,16H,1-3H3,(H2,23,24,25,26)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cadus Pharmaceutical Corporation Curated by ChEMBL					Assay Description Binding affinity towards rat A1 receptor was determined				Bioorg Med Chem Lett 9: 2413-8 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V5N
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cadus Pharmaceutical Corporation Curated by ChEMBL					Assay Description Inhibitory activity against binding of the [3H]-CGS-21,680 to human A2a receptor (hA2a) radioligands using competition binding assay				Bioorg Med Chem Lett 9: 2413-8 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V5N
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50080288 (CHEMBL81616 | N-[2-(5,6-Dimethyl-2-phenyl-7H-pyrro...) Show SMILES CC(=O)NCCNc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1 Show InChI InChI=1S/C18H21N5O/c1-11-12(2)21-18-15(11)17(20-10-9-19-13(3)24)22-16(23-18)14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3,(H,19,24)(H2,20,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cadus Pharmaceutical Corporation Curated by ChEMBL					Assay Description Inhibitory activity against binding of the [3H]-DPCPX to human A1 receptor (hA1) radioligands using competition binding assay				Bioorg Med Chem Lett 9: 2413-8 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V5N
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50080288 (CHEMBL81616 | N-[2-(5,6-Dimethyl-2-phenyl-7H-pyrro...) Show SMILES CC(=O)NCCNc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1 Show InChI InChI=1S/C18H21N5O/c1-11-12(2)21-18-15(11)17(20-10-9-19-13(3)24)22-16(23-18)14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3,(H,19,24)(H2,20,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cadus Pharmaceutical Corporation Curated by ChEMBL					Assay Description Inhibitory activity against binding of the [3H]-CGS-21,680 to human A2a receptor (hA2a) radioligands using competition binding assay				Bioorg Med Chem Lett 9: 2413-8 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V5N
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50080292 (4-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidi...) Show SMILES Cc1[nH]c2nc(nc(N[C@H]3CC[C@H](O)CC3)c2c1C)-c1ccccc1 |wU:9.8,wD:12.12,(7.76,-9.44,;6.22,-9.46,;5.3,-10.73,;3.85,-10.24,;2.5,-11.04,;1.17,-10.27,;1.17,-8.73,;2.5,-7.93,;2.48,-6.39,;1.15,-5.65,;-.16,-6.42,;-1.5,-5.65,;-1.5,-4.11,;-2.84,-3.34,;-.16,-3.34,;1.17,-4.09,;3.83,-8.7,;5.3,-8.22,;5.75,-6.75,;-.16,-11.04,;-.15,-12.55,;-1.5,-13.32,;-2.82,-12.55,;-2.82,-11.01,;-1.5,-10.24,)| Show InChI InChI=1S/C20H24N4O/c1-12-13(2)21-19-17(12)20(22-15-8-10-16(25)11-9-15)24-18(23-19)14-6-4-3-5-7-14/h3-7,15-16,25H,8-11H2,1-2H3,(H2,21,22,23,24)/t15-,16-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cadus Pharmaceutical Corporation Curated by ChEMBL					Assay Description Inhibitory activity against binding of the [3H]-DPCPX to human A1 receptor (hA1) radioligands using competition binding assay				Bioorg Med Chem Lett 9: 2413-8 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V5N
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cadus Pharmaceutical Corporation Curated by ChEMBL					Assay Description Inhibitory activity against binding of [3H]-DPCPX to human A1 receptor (hA1) using competition binding assay				Bioorg Med Chem Lett 9: 2413-8 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V5N
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50080291 ((5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-...) Show SMILES Cc1[nH]c2nc(nc(NCc3ccncc3)c2c1C)-c1ccccc1 Show InChI InChI=1S/C20H19N5/c1-13-14(2)23-20-17(13)19(22-12-15-8-10-21-11-9-15)24-18(25-20)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H2,22,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	132	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cadus Pharmaceutical Corporation Curated by ChEMBL					Assay Description Inhibitory activity against binding of the [3H]-DPCPX to human A1 receptor (hA1) radioligands using competition binding assay				Bioorg Med Chem Lett 9: 2413-8 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V5N
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50080287 (1-[2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrim...) Show SMILES Cc1[nH]c2nc(nc(NCCN3CCNC3=O)c2c1C)-c1ccccc1 Show InChI InChI=1S/C19H22N6O/c1-12-13(2)22-18-15(12)17(20-8-10-25-11-9-21-19(25)26)23-16(24-18)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3,(H,21,26)(H2,20,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	144	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cadus Pharmaceutical Corporation Curated by ChEMBL					Assay Description Inhibitory activity against binding of the [3H]-DPCPX to human A1 receptor (hA1) radioligands using competition binding assay				Bioorg Med Chem Lett 9: 2413-8 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V5N
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50080287 (1-[2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrim...) Show SMILES Cc1[nH]c2nc(nc(NCCN3CCNC3=O)c2c1C)-c1ccccc1 Show InChI InChI=1S/C19H22N6O/c1-12-13(2)22-18-15(12)17(20-8-10-25-11-9-21-19(25)26)23-16(24-18)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3,(H,21,26)(H2,20,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	215	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cadus Pharmaceutical Corporation Curated by ChEMBL					Assay Description Inhibitory activity against binding of [3H]-DPCPX to human A1 receptor (hA1) using competition binding assay				Bioorg Med Chem Lett 9: 2413-8 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V5N
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50080292 (4-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidi...) Show SMILES Cc1[nH]c2nc(nc(N[C@H]3CC[C@H](O)CC3)c2c1C)-c1ccccc1 |wU:9.8,wD:12.12,(7.76,-9.44,;6.22,-9.46,;5.3,-10.73,;3.85,-10.24,;2.5,-11.04,;1.17,-10.27,;1.17,-8.73,;2.5,-7.93,;2.48,-6.39,;1.15,-5.65,;-.16,-6.42,;-1.5,-5.65,;-1.5,-4.11,;-2.84,-3.34,;-.16,-3.34,;1.17,-4.09,;3.83,-8.7,;5.3,-8.22,;5.75,-6.75,;-.16,-11.04,;-.15,-12.55,;-1.5,-13.32,;-2.82,-12.55,;-2.82,-11.01,;-1.5,-10.24,)| Show InChI InChI=1S/C20H24N4O/c1-12-13(2)21-19-17(12)20(22-15-8-10-16(25)11-9-15)24-18(23-19)14-6-4-3-5-7-14/h3-7,15-16,25H,8-11H2,1-2H3,(H2,21,22,23,24)/t15-,16-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	754	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cadus Pharmaceutical Corporation Curated by ChEMBL					Assay Description Inhibitory activity against binding of [3H]-CGS-21,680 to human A2a receptor (hA2a) using competition binding assay				Bioorg Med Chem Lett 9: 2413-8 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V5N
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50080289 ((R)-3-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyri...) Show SMILES Cc1[nH]c2nc(nc(N[C@@H]3CCCCNC3=O)c2c1C)-c1ccccc1 Show InChI InChI=1S/C20H23N5O/c1-12-13(2)22-18-16(12)19(23-15-10-6-7-11-21-20(15)26)25-17(24-18)14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-11H2,1-2H3,(H,21,26)(H2,22,23,24,25)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	771	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cadus Pharmaceutical Corporation Curated by ChEMBL					Assay Description Inhibitory activity against membranes from yeast cells transformed with human A1 receptor (hA1)				Bioorg Med Chem Lett 9: 2413-8 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V5N
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50080291 ((5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-...) Show SMILES Cc1[nH]c2nc(nc(NCc3ccncc3)c2c1C)-c1ccccc1 Show InChI InChI=1S/C20H19N5/c1-13-14(2)23-20-17(13)19(22-12-15-8-10-21-11-9-15)24-18(25-20)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H2,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	811	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cadus Pharmaceutical Corporation Curated by ChEMBL					Assay Description Inhibitory activity against binding of the [3H]-CGS-21,680 to human A2a receptor (hA2a) radioligands using competition binding assay				Bioorg Med Chem Lett 9: 2413-8 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V5N
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50080290 ((1R,2R)-2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]...) Show SMILES Cc1[nH]c2nc(nc(N[C@@H]3Cc4ccccc4[C@H]3O)c2c1C)-c1ccccc1 Show InChI InChI=1S/C23H22N4O/c1-13-14(2)24-22-19(13)23(27-21(26-22)15-8-4-3-5-9-15)25-18-12-16-10-6-7-11-17(16)20(18)28/h3-11,18,20,28H,12H2,1-2H3,(H2,24,25,26,27)/t18-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	896	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cadus Pharmaceutical Corporation Curated by ChEMBL					Assay Description Inhibitory activity against binding of the [3H]-DPCPX to human A1 receptor (hA1) radioligands using competition binding assay				Bioorg Med Chem Lett 9: 2413-8 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V5N
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50080286 ((S)-2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyri...) Show SMILES CC(C)C[C@@H](CO)Nc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1 Show InChI InChI=1S/C20H26N4O/c1-12(2)10-16(11-25)22-20-17-13(3)14(4)21-19(17)23-18(24-20)15-8-6-5-7-9-15/h5-9,12,16,25H,10-11H2,1-4H3,(H2,21,22,23,24)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	951	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cadus Pharmaceutical Corporation Curated by ChEMBL					Assay Description Inhibitory activity against binding of the [3H]-DPCPX to human A1 receptor (hA1) radioligands using competition binding assay				Bioorg Med Chem Lett 9: 2413-8 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V5N
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50080289 ((R)-3-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyri...) Show SMILES Cc1[nH]c2nc(nc(N[C@@H]3CCCCNC3=O)c2c1C)-c1ccccc1 Show InChI InChI=1S/C20H23N5O/c1-12-13(2)22-18-16(12)19(23-15-10-6-7-11-21-20(15)26)25-17(24-18)14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-11H2,1-2H3,(H,21,26)(H2,22,23,24,25)/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	962	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cadus Pharmaceutical Corporation Curated by ChEMBL					Assay Description Inhibitory activity against binding of [3H]-DPCPX to human A1 receptor (hA1) using competition binding assay				Bioorg Med Chem Lett 9: 2413-8 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V5N
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50051653 ((5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-...) Show SMILES C[C@@H](Nc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C22H22N4/c1-14-15(2)23-21-19(14)22(24-16(3)17-10-6-4-7-11-17)26-20(25-21)18-12-8-5-9-13-18/h4-13,16H,1-3H3,(H2,23,24,25,26)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	981	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cadus Pharmaceutical Corporation Curated by ChEMBL					Assay Description Inhibitory activity against binding of [3H]-DPCPX to human A1 receptor (hA1) using competition binding assay				Bioorg Med Chem Lett 9: 2413-8 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V5N
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50080286 ((S)-2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyri...) Show SMILES CC(C)C[C@@H](CO)Nc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1 Show InChI InChI=1S/C20H26N4O/c1-12(2)10-16(11-25)22-20-17-13(3)14(4)21-19(17)23-18(24-20)15-8-6-5-7-9-15/h5-9,12,16,25H,10-11H2,1-4H3,(H2,21,22,23,24)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.14E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cadus Pharmaceutical Corporation Curated by ChEMBL					Assay Description Inhibitory activity against binding of [3H]-DPCPX to human A1 receptor (hA1) using competition binding assay				Bioorg Med Chem Lett 9: 2413-8 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V5N
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM394245 (US9975882, Example 36) Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(c4)C(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(-4.87,-8.75,;-4.1,-7.41,;-3.33,-6.08,;-2.56,-4.75,;-1.02,-4.75,;-3.33,-3.41,;-4.87,-3.41,;-5.35,-1.95,;-4.1,-1.04,;-3.01,.05,;-4.1,1.13,;-5.19,.05,;-4.1,2.67,;-2.86,3.58,;-3.33,5.04,;-2.56,6.38,;-3.04,7.84,;-1.79,8.75,;-.55,7.84,;.94,8.24,;2.03,7.15,;1.63,5.66,;2.72,4.58,;4.21,4.97,;4.61,6.46,;3.52,7.55,;6.09,6.86,;6.49,8.35,;7.18,5.77,;-1.02,6.38,;-4.87,5.04,;-5.64,6.38,;-7.18,6.38,;-4.87,7.71,;-5.35,3.58,;-6.68,2.81,;-2.86,-1.95,)| Show InChI InChI=1S/C26H27F2N7O2/c1-2-4-20(36)33-8-7-26(15-33)10-19(11-26)35-24(29)21(25(30)37)22(32-35)18-12-31-34(14-18)13-16-5-3-6-17(9-16)23(27)28/h3,5-6,9,12,14,19,23H,7-8,10-11,13,15,29H2,1H3,(H2,30,37)/t19-,26-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
University of Kalmar					Assay Description Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...				J Med Chem 52: 2708-15 (2009) BindingDB Entry DOI: 10.7270/Q2BP0531
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM394250 (US9975882, Example 41) Show SMILES NC(=O)c1c(N)n(nc1-c1cnn(Cc2ccccc2)c1)[C@H]1C[C@]2(C1)CCN(C2)C(=O)C#CC1CC1 |r,wU:21.23,wD:23.26,(-5.89,7.15,;-4.35,7.15,;-3.58,8.48,;-3.58,5.81,;-4.06,4.35,;-5.39,3.58,;-2.81,3.44,;-1.57,4.35,;-2.04,5.81,;-1.27,7.15,;-1.75,8.61,;-.5,9.52,;.74,8.61,;2.23,9.01,;3.32,7.92,;2.92,6.43,;4.01,5.35,;5.5,5.74,;5.89,7.23,;4.81,8.32,;.27,7.15,;-2.81,1.9,;-1.73,.82,;-2.81,-.27,;-3.9,.82,;-4.06,-1.18,;-3.58,-2.64,;-2.04,-2.64,;-1.57,-1.18,;-1.27,-3.98,;.27,-3.98,;-2.04,-5.31,;-2.81,-6.64,;-3.58,-7.98,;-4.92,-8.75,;-3.58,-9.52,)| Show InChI InChI=1S/C27H29N7O2/c28-25-23(26(29)36)24(20-14-30-33(16-20)15-19-4-2-1-3-5-19)31-34(25)21-12-27(13-21)10-11-32(17-27)22(35)9-8-18-6-7-18/h1-5,14,16,18,21H,6-7,10-13,15,17,28H2,(H2,29,36)/t21-,27-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
University of Kalmar					Assay Description Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...				J Med Chem 52: 2708-15 (2009) BindingDB Entry DOI: 10.7270/Q2BP0531
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM394262 (US9975882, Example 53) Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(F)c4Cl)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.6,-6.23,;1.06,-6.23,;-.48,-6.23,;-2.02,-6.23,;-2.79,-7.56,;-2.79,-4.89,;-4.33,-4.89,;-4.8,-3.43,;-3.56,-2.52,;-2.47,-1.43,;-3.56,-.34,;-4.65,-1.43,;-3.56,1.2,;-2.31,2.1,;-2.79,3.57,;-2.02,4.9,;-2.49,6.36,;-1.25,7.27,;-0,6.36,;1.49,6.76,;2.57,5.67,;2.18,4.19,;3.26,3.1,;4.75,3.5,;5.15,4.98,;6.64,5.38,;4.06,6.07,;4.46,7.56,;-.48,4.9,;-4.33,3.57,;-5.1,4.9,;-4.33,6.23,;-6.64,4.9,;-4.8,2.1,;-6.14,1.33,;-2.31,-3.43,)| Show InChI InChI=1S/C25H25ClFN7O2/c1-2-4-19(35)32-8-7-25(14-32)9-17(10-25)34-23(28)20(24(29)36)22(31-34)16-11-30-33(13-16)12-15-5-3-6-18(27)21(15)26/h3,5-6,11,13,17H,7-10,12,14,28H2,1H3,(H2,29,36)/t17-,25-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
University of Kalmar					Assay Description Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...				J Med Chem 52: 2708-15 (2009) BindingDB Entry DOI: 10.7270/Q2BP0531
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM394253 (US9975882, Example 44) Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccccc4)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(-3.58,-8.75,;-2.81,-7.41,;-2.04,-6.08,;-1.27,-4.75,;.27,-4.75,;-2.04,-3.41,;-3.58,-3.41,;-4.06,-1.95,;-2.81,-1.04,;-1.73,.05,;-2.81,1.13,;-3.9,.05,;-2.81,2.67,;-1.57,3.58,;-2.04,5.04,;-1.27,6.38,;-1.75,7.84,;-.5,8.75,;.74,7.84,;2.23,8.24,;3.32,7.15,;2.92,5.66,;4.01,4.58,;5.5,4.97,;5.89,6.46,;4.81,7.55,;.27,6.38,;-3.58,5.04,;-4.35,6.38,;-5.89,6.38,;-3.58,7.71,;-4.06,3.58,;-5.39,2.81,;-1.57,-1.95,)| Show InChI InChI=1S/C25H27N7O2/c1-2-6-20(33)30-10-9-25(16-30)11-19(12-25)32-23(26)21(24(27)34)22(29-32)18-13-28-31(15-18)14-17-7-4-3-5-8-17/h3-5,7-8,13,15,19H,9-12,14,16,26H2,1H3,(H2,27,34)/t19-,25-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
University of Kalmar					Assay Description Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...				J Med Chem 52: 2708-15 (2009) BindingDB Entry DOI: 10.7270/Q2BP0531
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM394268 (US9975882, Example 59) Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(F)c4F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.6,-6.23,;1.06,-6.23,;-.48,-6.23,;-2.02,-6.23,;-2.79,-7.56,;-2.79,-4.89,;-4.33,-4.89,;-4.8,-3.43,;-3.56,-2.52,;-2.47,-1.43,;-3.56,-.34,;-4.65,-1.43,;-3.56,1.2,;-2.31,2.1,;-2.79,3.57,;-2.02,4.9,;-2.49,6.36,;-1.25,7.27,;-0,6.36,;1.49,6.76,;2.57,5.67,;2.18,4.19,;3.26,3.1,;4.75,3.5,;5.15,4.98,;6.64,5.38,;4.06,6.07,;4.46,7.56,;-.48,4.9,;-4.33,3.57,;-5.1,4.9,;-4.33,6.23,;-6.64,4.9,;-4.8,2.1,;-6.14,1.33,;-2.31,-3.43,)| Show InChI InChI=1S/C25H25F2N7O2/c1-2-4-19(35)32-8-7-25(14-32)9-17(10-25)34-23(28)20(24(29)36)22(31-34)16-11-30-33(13-16)12-15-5-3-6-18(26)21(15)27/h3,5-6,11,13,17H,7-10,12,14,28H2,1H3,(H2,29,36)/t17-,25-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
University of Kalmar					Assay Description Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...				J Med Chem 52: 2708-15 (2009) BindingDB Entry DOI: 10.7270/Q2BP0531
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM394260 (US9975882, Example 51) Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(c4)C4CC4)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(1.86,-6.08,;.32,-6.08,;-1.22,-6.08,;-2.76,-6.08,;-3.53,-7.41,;-3.53,-4.75,;-5.07,-4.75,;-5.55,-3.28,;-4.3,-2.38,;-3.21,-1.29,;-4.3,-.2,;-5.39,-1.29,;-4.3,1.34,;-3.06,2.25,;-3.53,3.71,;-2.76,5.04,;-3.24,6.51,;-1.99,7.41,;-.75,6.51,;.74,6.91,;1.83,5.82,;1.43,4.33,;2.52,3.24,;4.01,3.64,;4.41,5.13,;3.32,6.22,;5.89,5.53,;7.38,5.13,;6.98,6.62,;-1.22,5.04,;-5.07,3.71,;-5.84,5.04,;-7.38,5.04,;-5.07,6.38,;-5.55,2.25,;-6.88,1.48,;-3.06,-3.28,)| Show InChI InChI=1S/C28H31N7O2/c1-2-4-23(36)33-10-9-28(17-33)12-22(13-28)35-26(29)24(27(30)37)25(32-35)21-14-31-34(16-21)15-18-5-3-6-20(11-18)19-7-8-19/h3,5-6,11,14,16,19,22H,7-10,12-13,15,17,29H2,1H3,(H2,30,37)/t22-,28-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
University of Kalmar					Assay Description Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...				J Med Chem 52: 2708-15 (2009) BindingDB Entry DOI: 10.7270/Q2BP0531
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM394237 (US9975882, Example 28) Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(F)c4)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.6,-6.08,;1.06,-6.08,;-.48,-6.08,;-2.02,-6.08,;-2.79,-7.41,;-2.79,-4.75,;-4.33,-4.75,;-4.8,-3.28,;-3.56,-2.38,;-2.47,-1.29,;-3.56,-.2,;-4.65,-1.29,;-3.56,1.34,;-2.31,2.25,;-2.79,3.71,;-2.02,5.04,;-2.49,6.51,;-1.25,7.41,;-0,6.51,;1.49,6.91,;2.57,5.82,;2.18,4.33,;3.26,3.24,;4.75,3.64,;5.15,5.13,;6.64,5.53,;4.06,6.22,;-.48,5.04,;-4.33,3.71,;-5.1,5.04,;-4.33,6.38,;-6.64,5.04,;-4.8,2.25,;-6.14,1.48,;-2.31,-3.28,)| Show InChI InChI=1S/C25H26FN7O2/c1-2-4-20(34)31-8-7-25(15-31)10-19(11-25)33-23(27)21(24(28)35)22(30-33)17-12-29-32(14-17)13-16-5-3-6-18(26)9-16/h3,5-6,9,12,14,19H,7-8,10-11,13,15,27H2,1H3,(H2,28,35)/t19-,25-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
University of Kalmar					Assay Description Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...				J Med Chem 52: 2708-15 (2009) BindingDB Entry DOI: 10.7270/Q2BP0531
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM394211 (US9975882, Example 2) Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(Cl)c4)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.6,-6.08,;1.06,-6.08,;-.48,-6.08,;-2.02,-6.08,;-2.79,-7.41,;-2.79,-4.75,;-4.33,-4.75,;-4.8,-3.28,;-3.56,-2.38,;-2.47,-1.29,;-3.56,-.2,;-4.65,-1.29,;-3.56,1.34,;-2.31,2.25,;-2.79,3.71,;-2.02,5.04,;-2.49,6.51,;-1.25,7.41,;-0,6.51,;1.49,6.91,;2.57,5.82,;2.18,4.33,;3.26,3.24,;4.75,3.64,;5.15,5.13,;6.64,5.53,;4.06,6.22,;-.48,5.04,;-4.33,3.71,;-5.1,5.04,;-4.33,6.38,;-6.64,5.04,;-4.8,2.25,;-6.14,1.48,;-2.31,-3.28,)| Show InChI InChI=1S/C25H26ClN7O2/c1-2-4-20(34)31-8-7-25(15-31)10-19(11-25)33-23(27)21(24(28)35)22(30-33)17-12-29-32(14-17)13-16-5-3-6-18(26)9-16/h3,5-6,9,12,14,19H,7-8,10-11,13,15,27H2,1H3,(H2,28,35)/t19-,25-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
University of Kalmar					Assay Description Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...				J Med Chem 52: 2708-15 (2009) BindingDB Entry DOI: 10.7270/Q2BP0531
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM394231 (US9975882, Example 22) Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(c4)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.06,-6.08,;.52,-6.08,;-1.02,-6.08,;-2.56,-6.08,;-3.33,-7.41,;-3.33,-4.75,;-4.87,-4.75,;-5.35,-3.28,;-4.1,-2.38,;-3.01,-1.29,;-4.1,-.2,;-5.19,-1.29,;-4.1,1.34,;-2.86,2.25,;-3.33,3.71,;-2.56,5.04,;-3.04,6.51,;-1.79,7.41,;-.55,6.51,;.94,6.91,;2.03,5.82,;1.63,4.33,;2.72,3.24,;4.21,3.64,;4.61,5.13,;3.52,6.22,;6.09,5.53,;7.18,4.44,;6.09,3.99,;6.49,7.01,;-1.02,5.04,;-4.87,3.71,;-5.64,5.04,;-4.87,6.38,;-7.18,5.04,;-5.35,2.25,;-6.68,1.48,;-2.86,-3.28,)| Show InChI InChI=1S/C26H26F3N7O2/c1-2-4-20(37)34-8-7-25(15-34)10-19(11-25)36-23(30)21(24(31)38)22(33-36)17-12-32-35(14-17)13-16-5-3-6-18(9-16)26(27,28)29/h3,5-6,9,12,14,19H,7-8,10-11,13,15,30H2,1H3,(H2,31,38)/t19-,25-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
University of Kalmar					Assay Description Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...				J Med Chem 52: 2708-15 (2009) BindingDB Entry DOI: 10.7270/Q2BP0531
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM394214 (US9975882, Example 5) Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccc(C)c(c4)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(3.19,-6.57,;1.7,-6.97,;.21,-7.37,;-1.28,-7.77,;-1.67,-9.25,;-2.36,-6.68,;-3.9,-6.68,;-4.38,-5.21,;-3.13,-4.31,;-2.05,-3.22,;-3.13,-2.13,;-4.22,-3.22,;-3.13,-.59,;-1.89,.31,;-2.36,1.78,;-1.59,3.11,;-.05,3.11,;.42,4.58,;-.82,5.48,;-.43,6.97,;1.06,7.37,;1.46,8.86,;2.95,9.25,;4.04,8.17,;5.52,8.56,;3.64,6.68,;2.15,6.28,;4.73,5.59,;4.33,4.1,;6.21,5.99,;5.82,4.5,;-2.07,4.58,;-3.9,1.78,;-4.67,3.11,;-3.9,4.45,;-6.21,3.11,;-4.38,.31,;-5.71,-.46,;-1.89,-5.21,)| Show InChI InChI=1S/C27H28F3N7O2/c1-3-4-21(38)35-8-7-26(15-35)10-19(11-26)37-24(31)22(25(32)39)23(34-37)18-12-33-36(14-18)13-17-6-5-16(2)20(9-17)27(28,29)30/h5-6,9,12,14,19H,7-8,10-11,13,15,31H2,1-2H3,(H2,32,39)/t19-,26-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
University of Kalmar					Assay Description Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...				J Med Chem 52: 2708-15 (2009) BindingDB Entry DOI: 10.7270/Q2BP0531
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM394267 (US9975882, Example 58) Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccc(Cl)c(c4)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(3.19,-6.57,;1.7,-6.97,;.21,-7.37,;-1.28,-7.77,;-1.67,-9.25,;-2.36,-6.68,;-3.9,-6.68,;-4.38,-5.21,;-3.13,-4.31,;-2.05,-3.22,;-3.13,-2.13,;-4.22,-3.22,;-3.13,-.59,;-1.89,.31,;-2.36,1.78,;-1.59,3.11,;-.05,3.11,;.42,4.58,;-.82,5.48,;-.43,6.97,;1.06,7.37,;1.46,8.86,;2.95,9.25,;4.04,8.17,;5.52,8.56,;3.64,6.68,;2.15,6.28,;4.73,5.59,;6.21,5.99,;5.82,4.5,;4.33,4.1,;-2.07,4.58,;-3.9,1.78,;-4.67,3.11,;-3.9,4.45,;-6.21,3.11,;-4.38,.31,;-5.71,-.46,;-1.89,-5.21,)| Show InChI InChI=1S/C26H25ClF3N7O2/c1-2-3-20(38)35-7-6-25(14-35)9-17(10-25)37-23(31)21(24(32)39)22(34-37)16-11-33-36(13-16)12-15-4-5-19(27)18(8-15)26(28,29)30/h4-5,8,11,13,17H,6-7,9-10,12,14,31H2,1H3,(H2,32,39)/t17-,25-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
University of Kalmar					Assay Description Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...				J Med Chem 52: 2708-15 (2009) BindingDB Entry DOI: 10.7270/Q2BP0531
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM394215 (US9975882, Example 6) Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(c4C)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(3.19,-6.57,;1.7,-6.97,;.21,-7.37,;-1.28,-7.77,;-1.67,-9.25,;-2.36,-6.68,;-3.9,-6.68,;-4.38,-5.21,;-3.13,-4.31,;-2.05,-3.22,;-3.13,-2.13,;-4.22,-3.22,;-3.13,-.59,;-1.89,.31,;-2.36,1.78,;-1.59,3.11,;-.05,3.11,;.42,4.58,;-.82,5.48,;-.43,6.97,;1.06,7.37,;1.46,8.86,;2.95,9.25,;4.04,8.17,;3.64,6.68,;2.15,6.28,;1.75,4.79,;4.73,5.59,;4.33,4.1,;6.21,5.99,;5.82,4.5,;-2.07,4.58,;-3.9,1.78,;-4.67,3.11,;-3.9,4.45,;-6.21,3.11,;-4.38,.31,;-5.71,-.46,;-1.89,-5.21,)| Show InChI InChI=1S/C27H28F3N7O2/c1-3-5-21(38)35-9-8-26(15-35)10-19(11-26)37-24(31)22(25(32)39)23(34-37)18-12-33-36(14-18)13-17-6-4-7-20(16(17)2)27(28,29)30/h4,6-7,12,14,19H,8-11,13,15,31H2,1-2H3,(H2,32,39)/t19-,26-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
University of Kalmar					Assay Description Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...				J Med Chem 52: 2708-15 (2009) BindingDB Entry DOI: 10.7270/Q2BP0531
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM394212 (US9975882, Example 3) Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(c4Cl)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(3.19,-6.57,;1.7,-6.97,;.21,-7.37,;-1.28,-7.77,;-1.67,-9.25,;-2.36,-6.68,;-3.9,-6.68,;-4.38,-5.21,;-3.13,-4.31,;-2.05,-3.22,;-3.13,-2.13,;-4.22,-3.22,;-3.13,-.59,;-1.89,.31,;-2.36,1.78,;-1.59,3.11,;-.05,3.11,;.42,4.58,;-.82,5.48,;-.43,6.97,;1.06,7.37,;1.46,8.86,;2.95,9.25,;4.04,8.17,;3.64,6.68,;2.15,6.28,;1.75,4.79,;4.73,5.59,;4.33,4.1,;6.21,5.99,;5.82,4.5,;-2.07,4.58,;-3.9,1.78,;-4.67,3.11,;-3.9,4.45,;-6.21,3.11,;-4.38,.31,;-5.71,-.46,;-1.89,-5.21,)| Show InChI InChI=1S/C26H25ClF3N7O2/c1-2-4-19(38)35-8-7-25(14-35)9-17(10-25)37-23(31)20(24(32)39)22(34-37)16-11-33-36(13-16)12-15-5-3-6-18(21(15)27)26(28,29)30/h3,5-6,11,13,17H,7-10,12,14,31H2,1H3,(H2,32,39)/t17-,25-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
University of Kalmar					Assay Description Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...				J Med Chem 52: 2708-15 (2009) BindingDB Entry DOI: 10.7270/Q2BP0531
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM394242 (US9975882, Example 33) Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(c4F)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.22,-4.83,;.73,-5.23,;-.76,-5.63,;-2.24,-6.03,;-2.64,-7.51,;-3.33,-4.94,;-4.87,-4.94,;-5.35,-3.47,;-4.1,-2.57,;-3.01,-1.48,;-4.1,-.39,;-5.19,-1.48,;-4.1,1.15,;-2.86,2.06,;-3.33,3.52,;-2.56,4.85,;-3.04,6.32,;-1.79,7.22,;-.55,6.32,;.94,6.72,;2.03,5.63,;1.63,4.14,;2.72,3.05,;4.21,3.45,;4.61,4.94,;3.52,6.03,;3.92,7.51,;6.09,5.34,;7.18,4.25,;6.09,3.8,;6.49,6.82,;-1.02,4.85,;-4.87,3.52,;-5.64,4.85,;-7.18,4.85,;-4.87,6.19,;-5.35,2.06,;-6.68,1.29,;-2.86,-3.47,)| Show InChI InChI=1S/C26H25F4N7O2/c1-2-4-19(38)35-8-7-25(14-35)9-17(10-25)37-23(31)20(24(32)39)22(34-37)16-11-33-36(13-16)12-15-5-3-6-18(21(15)27)26(28,29)30/h3,5-6,11,13,17H,7-10,12,14,31H2,1H3,(H2,32,39)/t17-,25-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
University of Kalmar					Assay Description Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...				J Med Chem 52: 2708-15 (2009) BindingDB Entry DOI: 10.7270/Q2BP0531
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM394221 (US9975882, Example 12) Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccccc4C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.95,-6.97,;1.41,-6.97,;-.13,-6.97,;-1.67,-6.97,;-2.44,-8.3,;-2.44,-5.64,;-3.98,-5.64,;-4.46,-4.17,;-3.21,-3.27,;-2.12,-2.18,;-3.21,-1.09,;-4.3,-2.18,;-3.21,.45,;-1.97,1.36,;-2.44,2.82,;-1.67,4.16,;-2.15,5.62,;-.9,6.53,;.34,5.62,;1.83,6.02,;2.92,4.93,;2.52,3.44,;3.61,2.35,;5.1,2.75,;5.5,4.24,;4.41,5.33,;4.81,6.82,;3.72,7.9,;5.2,8.3,;6.29,7.21,;-.13,4.16,;-3.98,2.82,;-4.75,4.16,;-3.98,5.49,;-6.29,4.16,;-4.46,1.36,;-5.79,.59,;-1.97,-4.17,)| Show InChI InChI=1S/C26H26F3N7O2/c1-2-5-20(37)34-9-8-25(15-34)10-18(11-25)36-23(30)21(24(31)38)22(33-36)17-12-32-35(14-17)13-16-6-3-4-7-19(16)26(27,28)29/h3-4,6-7,12,14,18H,8-11,13,15,30H2,1H3,(H2,31,38)/t18-,25-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Kalmar					Assay Description Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...				J Med Chem 52: 2708-15 (2009) BindingDB Entry DOI: 10.7270/Q2BP0531
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM394223 (US9975882, Example 14) Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(n4)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.06,-6.08,;.52,-6.08,;-1.02,-6.08,;-2.56,-6.08,;-3.33,-7.41,;-3.33,-4.75,;-4.87,-4.75,;-5.35,-3.28,;-4.1,-2.38,;-3.01,-1.29,;-4.1,-.2,;-5.19,-1.29,;-4.1,1.34,;-2.86,2.25,;-3.33,3.71,;-2.56,5.04,;-3.04,6.51,;-1.79,7.41,;-.55,6.51,;.94,6.91,;2.03,5.82,;1.63,4.33,;2.72,3.24,;4.21,3.64,;4.61,5.13,;3.52,6.22,;6.09,5.53,;7.18,4.44,;6.09,3.99,;6.49,7.01,;-1.02,5.04,;-4.87,3.71,;-5.64,5.04,;-4.87,6.38,;-7.18,5.04,;-5.35,2.25,;-6.68,1.48,;-2.86,-3.28,)| Show InChI InChI=1S/C25H25F3N8O2/c1-2-4-19(37)34-8-7-24(14-34)9-17(10-24)36-22(29)20(23(30)38)21(33-36)15-11-31-35(12-15)13-16-5-3-6-18(32-16)25(26,27)28/h3,5-6,11-12,17H,7-10,13-14,29H2,1H3,(H2,30,38)/t17-,24-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Kalmar					Assay Description Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...				J Med Chem 52: 2708-15 (2009) BindingDB Entry DOI: 10.7270/Q2BP0531
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM394219 (US9975882, Example 10) Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(c4C#N)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(4.54,-9.55,;3,-9.55,;1.46,-9.55,;-.08,-9.55,;-.85,-10.88,;-.85,-8.21,;-2.39,-8.21,;-2.86,-6.75,;-1.62,-5.84,;-.53,-4.75,;-1.62,-3.66,;-2.7,-4.75,;-1.62,-2.12,;-.37,-1.22,;-.85,.25,;-.08,1.58,;1.46,1.58,;1.94,3.04,;.69,3.95,;.69,5.49,;2.03,6.26,;3.36,5.49,;4.7,6.26,;4.7,7.8,;3.36,8.57,;2.03,7.8,;.69,8.57,;-.64,9.34,;3.36,10.11,;4.7,10.88,;2.03,10.88,;4.7,9.34,;-.55,3.04,;-2.39,.25,;-3.16,1.58,;-4.7,1.58,;-2.39,2.91,;-2.86,-1.22,;-4.2,-1.99,;-.37,-6.75,)| Show InChI InChI=1S/C27H25F3N8O2/c1-2-4-21(39)36-8-7-26(15-36)9-18(10-26)38-24(32)22(25(33)40)23(35-38)17-12-34-37(14-17)13-16-5-3-6-20(19(16)11-31)27(28,29)30/h3,5-6,12,14,18H,7-10,13,15,32H2,1H3,(H2,33,40)/t18-,26-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Kalmar					Assay Description Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...				J Med Chem 52: 2708-15 (2009) BindingDB Entry DOI: 10.7270/Q2BP0531
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM394263 (US9975882, Example 54) Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccccc4Cl)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(3.35,-6.23,;1.81,-6.23,;.27,-6.23,;-1.27,-6.23,;-2.04,-7.56,;-2.04,-4.89,;-3.58,-4.89,;-4.06,-3.43,;-2.81,-2.52,;-1.73,-1.43,;-2.81,-.34,;-3.9,-1.43,;-2.81,1.2,;-1.57,2.1,;-2.04,3.57,;-1.27,4.9,;-1.75,6.36,;-.5,7.27,;.74,6.36,;2.23,6.76,;3.32,5.67,;2.92,4.19,;4.01,3.1,;5.5,3.5,;5.89,4.98,;4.81,6.07,;5.2,7.56,;.27,4.9,;-3.58,3.57,;-4.35,4.9,;-3.58,6.23,;-5.89,4.9,;-4.06,2.1,;-5.39,1.33,;-1.57,-3.43,)| Show InChI InChI=1S/C25H26ClN7O2/c1-2-5-20(34)31-9-8-25(15-31)10-18(11-25)33-23(27)21(24(28)35)22(30-33)17-12-29-32(14-17)13-16-6-3-4-7-19(16)26/h3-4,6-7,12,14,18H,8-11,13,15,27H2,1H3,(H2,28,35)/t18-,25-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Kalmar					Assay Description Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...				J Med Chem 52: 2708-15 (2009) BindingDB Entry DOI: 10.7270/Q2BP0531
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM394256 (US9975882, Example 47) Show SMILES CC#CC(=O)N1CC2(CC(C2)n2nc(-c3cnn(Cc4cccc(c4)C(F)(F)F)c3)c(C(N)=O)c2N)C1 Show InChI InChI=1S/C25H24F3N7O2/c1-2-4-19(36)33-13-24(14-33)8-18(9-24)35-22(29)20(23(30)37)21(32-35)16-10-31-34(12-16)11-15-5-3-6-17(7-15)25(26,27)28/h3,5-7,10,12,18H,8-9,11,13-14,29H2,1H3,(H2,30,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Kalmar					Assay Description Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...				J Med Chem 52: 2708-15 (2009) BindingDB Entry DOI: 10.7270/Q2BP0531
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM394269 (US9975882, Example 60) Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccccc4F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(3.35,-6.23,;1.81,-6.23,;.27,-6.23,;-1.27,-6.23,;-2.04,-7.56,;-2.04,-4.89,;-3.58,-4.89,;-4.06,-3.43,;-2.81,-2.52,;-1.73,-1.43,;-2.81,-.34,;-3.9,-1.43,;-2.81,1.2,;-1.57,2.1,;-2.04,3.57,;-1.27,4.9,;-1.75,6.36,;-.5,7.27,;.74,6.36,;2.23,6.76,;3.32,5.67,;2.92,4.19,;4.01,3.1,;5.5,3.5,;5.89,4.98,;4.81,6.07,;5.2,7.56,;.27,4.9,;-3.58,3.57,;-4.35,4.9,;-3.58,6.23,;-5.89,4.9,;-4.06,2.1,;-5.39,1.33,;-1.57,-3.43,)| Show InChI InChI=1S/C25H26FN7O2/c1-2-5-20(34)31-9-8-25(15-31)10-18(11-25)33-23(27)21(24(28)35)22(30-33)17-12-29-32(14-17)13-16-6-3-4-7-19(16)26/h3-4,6-7,12,14,18H,8-11,13,15,27H2,1H3,(H2,28,35)/t18-,25-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Kalmar					Assay Description Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...				J Med Chem 52: 2708-15 (2009) BindingDB Entry DOI: 10.7270/Q2BP0531
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM394241 (US9975882, Example 32) Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cc(ccc4F)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.22,-4.69,;.73,-5.08,;-.76,-5.48,;-2.24,-5.88,;-2.64,-7.37,;-3.33,-4.79,;-4.87,-4.79,;-5.35,-3.33,;-4.1,-2.42,;-3.01,-1.33,;-4.1,-.24,;-5.19,-1.33,;-4.1,1.3,;-2.86,2.2,;-3.33,3.67,;-2.56,5,;-3.04,6.46,;-1.79,7.37,;-.55,6.46,;.94,6.86,;2.03,5.77,;3.52,6.17,;4.61,5.08,;4.21,3.6,;2.72,3.2,;1.63,4.29,;.14,3.89,;6.09,5.48,;7.18,4.39,;6.09,3.94,;6.49,6.97,;-1.02,5,;-4.87,3.67,;-5.64,5,;-7.18,5,;-4.87,6.33,;-5.35,2.2,;-6.68,1.43,;-2.86,-3.33,)| Show InChI InChI=1S/C26H25F4N7O2/c1-2-3-20(38)35-7-6-25(14-35)9-18(10-25)37-23(31)21(24(32)39)22(34-37)16-11-33-36(13-16)12-15-8-17(26(28,29)30)4-5-19(15)27/h4-5,8,11,13,18H,6-7,9-10,12,14,31H2,1H3,(H2,32,39)/t18-,25-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Kalmar					Assay Description Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...				J Med Chem 52: 2708-15 (2009) BindingDB Entry DOI: 10.7270/Q2BP0531
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM394265 (US9975882, Example 56) Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(F)c4C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.6,-6.97,;1.06,-6.97,;-.48,-6.97,;-2.02,-6.97,;-2.79,-8.3,;-2.79,-5.64,;-4.33,-5.64,;-4.8,-4.17,;-3.56,-3.27,;-2.47,-2.18,;-3.56,-1.09,;-4.65,-2.18,;-3.56,.45,;-2.31,1.36,;-2.79,2.82,;-2.02,4.16,;-2.49,5.62,;-1.25,6.53,;-0,5.62,;1.49,6.02,;2.57,4.93,;2.18,3.44,;3.26,2.35,;4.75,2.75,;5.15,4.24,;6.64,4.64,;4.06,5.33,;4.46,6.82,;5.95,7.21,;3.37,7.9,;4.86,8.3,;-.48,4.16,;-4.33,2.82,;-5.1,4.16,;-4.33,5.49,;-6.64,4.16,;-4.8,1.36,;-6.14,.59,;-2.31,-4.17,)| Show InChI InChI=1S/C26H25F4N7O2/c1-2-4-19(38)35-8-7-25(14-35)9-17(10-25)37-23(31)20(24(32)39)22(34-37)16-11-33-36(13-16)12-15-5-3-6-18(27)21(15)26(28,29)30/h3,5-6,11,13,17H,7-10,12,14,31H2,1H3,(H2,32,39)/t17-,25-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
University of Kalmar					Assay Description Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...				J Med Chem 52: 2708-15 (2009) BindingDB Entry DOI: 10.7270/Q2BP0531
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM394239 (US9975882, Example 30) Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccc(F)c(c4)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.22,-4.69,;.73,-5.08,;-.76,-5.48,;-2.24,-5.88,;-2.64,-7.37,;-3.33,-4.79,;-4.87,-4.79,;-5.35,-3.33,;-4.1,-2.42,;-3.01,-1.33,;-4.1,-.24,;-5.19,-1.33,;-4.1,1.3,;-2.86,2.2,;-3.33,3.67,;-2.56,5,;-3.04,6.46,;-1.79,7.37,;-.55,6.46,;.94,6.86,;2.03,5.77,;1.63,4.29,;2.72,3.2,;4.21,3.6,;5.3,2.51,;4.61,5.08,;3.52,6.17,;6.09,5.48,;7.18,4.39,;6.09,3.94,;6.49,6.97,;-1.02,5,;-4.87,3.67,;-5.64,5,;-7.18,5,;-4.87,6.33,;-5.35,2.2,;-6.68,1.43,;-2.86,-3.33,)| Show InChI InChI=1S/C26H25F4N7O2/c1-2-3-20(38)35-7-6-25(14-35)9-17(10-25)37-23(31)21(24(32)39)22(34-37)16-11-33-36(13-16)12-15-4-5-19(27)18(8-15)26(28,29)30/h4-5,8,11,13,17H,6-7,9-10,12,14,31H2,1H3,(H2,32,39)/t17-,25-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
University of Kalmar					Assay Description Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...				J Med Chem 52: 2708-15 (2009) BindingDB Entry DOI: 10.7270/Q2BP0531
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM394227 (US9975882, Example 18) Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(c3)[C@H](C)c3cccc(c3)C(F)(F)F)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,20.22,(2.06,-6.57,;.52,-6.57,;-1.02,-6.57,;-2.56,-6.57,;-3.33,-7.9,;-3.33,-5.24,;-4.87,-5.24,;-5.35,-3.77,;-4.1,-2.87,;-3.01,-1.78,;-4.1,-.69,;-5.19,-1.78,;-4.1,.85,;-2.86,1.76,;-3.33,3.22,;-2.56,4.55,;-3.04,6.02,;-1.79,6.92,;-.55,6.02,;-1.02,4.55,;.94,6.42,;1.34,7.9,;2.03,5.33,;1.63,3.84,;2.72,2.75,;4.21,3.15,;4.61,4.64,;3.52,5.73,;6.09,5.04,;7.18,3.95,;6.09,3.5,;6.49,6.52,;-4.87,3.22,;-5.64,4.55,;-4.87,5.89,;-7.18,4.55,;-5.35,1.76,;-6.68,.99,;-2.86,-3.77,)| Show InChI InChI=1S/C27H28F3N7O2/c1-3-5-21(38)35-9-8-26(15-35)11-20(12-26)37-24(31)22(25(32)39)23(34-37)18-13-33-36(14-18)16(2)17-6-4-7-19(10-17)27(28,29)30/h4,6-7,10,13-14,16,20H,8-9,11-12,15,31H2,1-2H3,(H2,32,39)/t16-,20-,26-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
University of Kalmar					Assay Description Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...				J Med Chem 52: 2708-15 (2009) BindingDB Entry DOI: 10.7270/Q2BP0531
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM394218 (US9975882, Example 9) Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccccc4OC(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(-4.73,-9.84,;-3.96,-8.5,;-3.19,-7.17,;-2.42,-5.84,;-.88,-5.84,;-3.19,-4.5,;-4.73,-4.5,;-5.2,-3.04,;-3.96,-2.13,;-2.87,-1.04,;-3.96,.05,;-5.05,-1.04,;-3.96,1.59,;-2.71,2.49,;-3.19,3.96,;-2.42,5.29,;-2.89,6.75,;-1.65,7.66,;-.4,6.75,;1.09,7.15,;2.18,6.06,;1.78,4.58,;2.87,3.49,;4.35,3.89,;4.75,5.37,;3.66,6.46,;4.06,7.95,;5.55,8.35,;6.64,7.26,;5.95,9.84,;7.04,8.75,;-.88,5.29,;-4.73,3.96,;-5.5,5.29,;-4.73,6.62,;-7.04,5.29,;-5.2,2.49,;-6.54,1.72,;-2.71,-3.04,)| Show InChI InChI=1S/C26H26F3N7O3/c1-2-5-20(37)34-9-8-25(15-34)10-18(11-25)36-23(30)21(24(31)38)22(33-36)17-12-32-35(14-17)13-16-6-3-4-7-19(16)39-26(27,28)29/h3-4,6-7,12,14,18H,8-11,13,15,30H2,1H3,(H2,31,38)/t18-,25-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
University of Kalmar					Assay Description Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...				J Med Chem 52: 2708-15 (2009) BindingDB Entry DOI: 10.7270/Q2BP0531
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM303361 (US10138222, Example 76) Show SMILES CN1CCC(CC1)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1 Show InChI InChI=1S/C25H30N6O/c1-17-3-4-18(25(32)29-20-5-6-20)11-24(17)19-13-27-31(16-19)23-12-22(14-26-15-23)28-21-7-9-30(2)10-8-21/h3-4,11-16,20-21,28H,5-10H2,1-2H3,(H,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.610	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...				US Patent US10138222 (2018) BindingDB Entry DOI: 10.7270/Q2RV0QS2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM394220 (US9975882, Example 11) Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccccc4C#N)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(-3.58,-9.64,;-2.81,-8.3,;-2.04,-6.97,;-1.27,-5.64,;.27,-5.64,;-2.04,-4.3,;-3.58,-4.3,;-4.06,-2.84,;-2.81,-1.93,;-1.73,-.84,;-2.81,.25,;-3.9,-.84,;-2.81,1.79,;-1.57,2.69,;-2.04,4.16,;-1.27,5.49,;-1.75,6.95,;-.5,7.86,;.74,6.95,;2.23,7.35,;3.32,6.26,;2.92,4.78,;4.01,3.69,;5.5,4.09,;5.89,5.57,;4.81,6.66,;5.2,8.15,;5.6,9.64,;.27,5.49,;-3.58,4.16,;-4.35,5.49,;-5.89,5.49,;-3.58,6.82,;-4.06,2.69,;-5.39,1.92,;-1.57,-2.84,)| Show InChI InChI=1S/C26H26N8O2/c1-2-5-21(35)32-9-8-26(16-32)10-20(11-26)34-24(28)22(25(29)36)23(31-34)19-13-30-33(15-19)14-18-7-4-3-6-17(18)12-27/h3-4,6-7,13,15,20H,8-11,14,16,28H2,1H3,(H2,29,36)/t20-,26-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
University of Kalmar					Assay Description Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...				J Med Chem 52: 2708-15 (2009) BindingDB Entry DOI: 10.7270/Q2BP0531
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM394264 (US9975882, Example 55) Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cc(F)ccc4Cl)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(3.35,-6.23,;1.81,-6.23,;.27,-6.23,;-1.27,-6.23,;-2.04,-7.56,;-2.04,-4.89,;-3.58,-4.89,;-4.06,-3.43,;-2.81,-2.52,;-1.73,-1.43,;-2.81,-.34,;-3.9,-1.43,;-2.81,1.2,;-1.57,2.1,;-2.04,3.57,;-1.27,4.9,;-1.75,6.36,;-.5,7.27,;.74,6.36,;2.23,6.76,;3.32,5.67,;2.92,4.19,;4.01,3.1,;3.61,1.61,;5.5,3.5,;5.89,4.98,;4.81,6.07,;5.2,7.56,;.27,4.9,;-3.58,3.57,;-4.35,4.9,;-3.58,6.23,;-5.89,4.9,;-4.06,2.1,;-5.39,1.33,;-1.57,-3.43,)| Show InChI InChI=1S/C25H25ClFN7O2/c1-2-3-20(35)32-7-6-25(14-32)9-18(10-25)34-23(28)21(24(29)36)22(31-34)16-11-30-33(13-16)12-15-8-17(27)4-5-19(15)26/h4-5,8,11,13,18H,6-7,9-10,12,14,28H2,1H3,(H2,29,36)/t18-,25-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
University of Kalmar					Assay Description Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...				J Med Chem 52: 2708-15 (2009) BindingDB Entry DOI: 10.7270/Q2BP0531
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM394231 (US9975882, Example 22) Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(c4)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.06,-6.08,;.52,-6.08,;-1.02,-6.08,;-2.56,-6.08,;-3.33,-7.41,;-3.33,-4.75,;-4.87,-4.75,;-5.35,-3.28,;-4.1,-2.38,;-3.01,-1.29,;-4.1,-.2,;-5.19,-1.29,;-4.1,1.34,;-2.86,2.25,;-3.33,3.71,;-2.56,5.04,;-3.04,6.51,;-1.79,7.41,;-.55,6.51,;.94,6.91,;2.03,5.82,;1.63,4.33,;2.72,3.24,;4.21,3.64,;4.61,5.13,;3.52,6.22,;6.09,5.53,;7.18,4.44,;6.09,3.99,;6.49,7.01,;-1.02,5.04,;-4.87,3.71,;-5.64,5.04,;-4.87,6.38,;-7.18,5.04,;-5.35,2.25,;-6.68,1.48,;-2.86,-3.28,)| Show InChI InChI=1S/C26H26F3N7O2/c1-2-4-20(37)34-8-7-25(15-34)10-19(11-25)36-23(30)21(24(31)38)22(33-36)17-12-32-35(14-17)13-16-5-3-6-18(9-16)26(27,28)29/h3,5-6,9,12,14,19H,7-8,10-11,13,15,30H2,1H3,(H2,31,38)/t19-,25-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
University of Kalmar					Assay Description Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...				J Med Chem 52: 2708-15 (2009) BindingDB Entry DOI: 10.7270/Q2BP0531
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM394243 (US9975882, Example 34) Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cn(Cc4cccc(Cl)c4)nc3C)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(-4.33,-8.75,;-3.56,-7.41,;-2.79,-6.08,;-2.02,-4.75,;-.48,-4.75,;-2.79,-3.41,;-4.33,-3.41,;-4.8,-1.95,;-3.56,-1.04,;-2.47,.05,;-3.56,1.13,;-4.65,.05,;-3.56,2.67,;-2.31,3.58,;-2.79,5.04,;-2.02,6.38,;-.48,6.38,;-0,7.84,;1.49,8.24,;2.57,7.15,;2.18,5.66,;3.26,4.58,;4.75,4.97,;5.15,6.46,;6.64,6.86,;4.06,7.55,;-1.25,8.75,;-2.49,7.84,;-3.83,8.61,;-4.33,5.04,;-5.1,6.38,;-4.33,7.71,;-6.64,6.38,;-4.8,3.58,;-6.14,2.81,;-2.31,-1.95,)| Show InChI InChI=1S/C26H28ClN7O2/c1-3-5-21(35)32-9-8-26(15-32)11-19(12-26)34-24(28)22(25(29)36)23(31-34)20-14-33(30-16(20)2)13-17-6-4-7-18(27)10-17/h4,6-7,10,14,19H,8-9,11-13,15,28H2,1-2H3,(H2,29,36)/t19-,26-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
University of Kalmar					Assay Description Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...				J Med Chem 52: 2708-15 (2009) BindingDB Entry DOI: 10.7270/Q2BP0531
					More data for this Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX (Homo sapiens (Human))	BDBM1773 (US10280174, Comparative Compound 1 | US8476284, 4 ...) Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCN(C1)C(=O)C=C Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
University of Kalmar					Assay Description Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...				J Med Chem 52: 2708-15 (2009) BindingDB Entry DOI: 10.7270/Q2BP0531
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM394268 (US9975882, Example 59) Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(F)c4F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.6,-6.23,;1.06,-6.23,;-.48,-6.23,;-2.02,-6.23,;-2.79,-7.56,;-2.79,-4.89,;-4.33,-4.89,;-4.8,-3.43,;-3.56,-2.52,;-2.47,-1.43,;-3.56,-.34,;-4.65,-1.43,;-3.56,1.2,;-2.31,2.1,;-2.79,3.57,;-2.02,4.9,;-2.49,6.36,;-1.25,7.27,;-0,6.36,;1.49,6.76,;2.57,5.67,;2.18,4.19,;3.26,3.1,;4.75,3.5,;5.15,4.98,;6.64,5.38,;4.06,6.07,;4.46,7.56,;-.48,4.9,;-4.33,3.57,;-5.1,4.9,;-4.33,6.23,;-6.64,4.9,;-4.8,2.1,;-6.14,1.33,;-2.31,-3.43,)| Show InChI InChI=1S/C25H25F2N7O2/c1-2-4-19(35)32-8-7-25(14-32)9-17(10-25)34-23(28)20(24(29)36)22(31-34)16-11-30-33(13-16)12-15-5-3-6-18(26)21(15)27/h3,5-6,11,13,17H,7-10,12,14,28H2,1H3,(H2,29,36)/t17-,25-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
University of Kalmar					Assay Description Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...				J Med Chem 52: 2708-15 (2009) BindingDB Entry DOI: 10.7270/Q2BP0531
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM394211 (US9975882, Example 2) Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(Cl)c4)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.6,-6.08,;1.06,-6.08,;-.48,-6.08,;-2.02,-6.08,;-2.79,-7.41,;-2.79,-4.75,;-4.33,-4.75,;-4.8,-3.28,;-3.56,-2.38,;-2.47,-1.29,;-3.56,-.2,;-4.65,-1.29,;-3.56,1.34,;-2.31,2.25,;-2.79,3.71,;-2.02,5.04,;-2.49,6.51,;-1.25,7.41,;-0,6.51,;1.49,6.91,;2.57,5.82,;2.18,4.33,;3.26,3.24,;4.75,3.64,;5.15,5.13,;6.64,5.53,;4.06,6.22,;-.48,5.04,;-4.33,3.71,;-5.1,5.04,;-4.33,6.38,;-6.64,5.04,;-4.8,2.25,;-6.14,1.48,;-2.31,-3.28,)| Show InChI InChI=1S/C25H26ClN7O2/c1-2-4-20(34)31-8-7-25(15-31)10-19(11-25)33-23(27)21(24(28)35)22(30-33)17-12-29-32(14-17)13-16-5-3-6-18(26)9-16/h3,5-6,9,12,14,19H,7-8,10-11,13,15,27H2,1H3,(H2,28,35)/t19-,25-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
University of Kalmar					Assay Description Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...				J Med Chem 52: 2708-15 (2009) BindingDB Entry DOI: 10.7270/Q2BP0531
					More data for this Ligand-Target Pair

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