Compile Data Set for Download or QSAR

Found 269 hits with Last Name = 'orrenius' and Initial = 'sc'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50069326 (CHEMBL3403541 | US9688661, 1-(5-Chloro-2-methylphe...) Show SMILES Cc1ccc(Cl)cc1-n1cc(cc1C(N)=O)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C18H14ClN5O/c1-10-2-3-12(19)7-14(10)24-8-11(6-15(24)17(20)25)16-13-4-5-21-18(13)23-9-22-16/h2-9H,1H3,(H2,20,25)(H,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Assays were performed with the commercially available JAK2 kinase domain (Invitrogen, Eugene, Oreg.) that showed a linear kinetic without prephosphor...				US Patent US9688661 (2017) BindingDB Entry DOI: 10.7270/Q2K35RTP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50069316 (CHEMBL3403549 | US9688661, 1-[2-Chloro-5-(trifluor...) Show SMILES NC(=O)c1cc(cn1-c1cc(ccc1Cl)C(F)(F)F)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C18H11ClF3N5O/c19-12-2-1-10(18(20,21)22)6-13(12)27-7-9(5-14(27)16(23)28)15-11-3-4-24-17(11)26-8-25-15/h1-8H,(H2,23,28)(H,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Assays were performed with the commercially available JAK2 kinase domain (Invitrogen, Eugene, Oreg.) that showed a linear kinetic without prephosphor...				US Patent US9688661 (2017) BindingDB Entry DOI: 10.7270/Q2K35RTP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [861-1152] (Homo sapiens (Human))	BDBM174031 (US9688661, 2-(5-Chloro-2-ethylphenyl)-N-methyl-5-[...) Show SMILES CCc1ccc(Cl)cc1-c1c(cc(-c2cc(NC)ncn2)n1C)C(N)=O |(6.04,-10.51,;5.63,-9.02,;6.72,-7.93,;8.21,-8.33,;9.3,-7.24,;8.9,-5.75,;9.99,-4.66,;7.41,-5.35,;6.32,-6.44,;4.84,-6.05,;4.36,-4.58,;2.82,-4.58,;2.34,-6.05,;.86,-6.44,;.46,-7.93,;-1.03,-8.33,;-1.43,-9.82,;-2.91,-10.22,;-2.12,-7.24,;-1.72,-5.75,;-.23,-5.35,;3.59,-6.95,;3.59,-8.49,;5.13,-3.25,;6.67,-3.25,;4.36,-1.91,)| Show InChI InChI=1S/C19H20ClN5O/c1-4-11-5-6-12(20)7-13(11)18-14(19(21)26)8-16(25(18)3)15-9-17(22-2)24-10-23-15/h5-10H,4H2,1-3H3,(H2,21,26)(H,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...				US Patent US9688661 (2017) BindingDB Entry DOI: 10.7270/Q2K35RTP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM191129 (US9181258, 130) Show SMILES NCC[C@H]1CNC(=O)c2cc(c(-c3ccc(cc3)C3(N)CC3)n12)-c1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C25H25F3N4O2/c26-25(27,28)34-19-3-1-2-16(12-19)20-13-21-23(33)31-14-18(8-11-29)32(21)22(20)15-4-6-17(7-5-15)24(30)9-10-24/h1-7,12-13,18H,8-11,14,29-30H2,(H,31,33)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...				US Patent US9181258 (2015) BindingDB Entry DOI: 10.7270/Q2862F7F
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM191074 (US9181258, 82) Show SMILES CN1CCN(Cc2ccc(cc2)-c2c(cc3C(=O)NCC(CCOC(=O)C(F)(F)F)n23)-c2cccc(OC(F)(F)F)c2)CC1 Show InChI InChI=1S/C30H30F6N4O4/c1-38-10-12-39(13-11-38)18-19-5-7-20(8-6-19)26-24(21-3-2-4-23(15-21)44-30(34,35)36)16-25-27(41)37-17-22(40(25)26)9-14-43-28(42)29(31,32)33/h2-8,15-16,22H,9-14,17-18H2,1H3,(H,37,41)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...				US Patent US9181258 (2015) BindingDB Entry DOI: 10.7270/Q2862F7F
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM174031 (US9688661, 2-(5-Chloro-2-ethylphenyl)-N-methyl-5-[...) Show SMILES CCc1ccc(Cl)cc1-c1c(cc(-c2cc(NC)ncn2)n1C)C(N)=O |(6.04,-10.51,;5.63,-9.02,;6.72,-7.93,;8.21,-8.33,;9.3,-7.24,;8.9,-5.75,;9.99,-4.66,;7.41,-5.35,;6.32,-6.44,;4.84,-6.05,;4.36,-4.58,;2.82,-4.58,;2.34,-6.05,;.86,-6.44,;.46,-7.93,;-1.03,-8.33,;-1.43,-9.82,;-2.91,-10.22,;-2.12,-7.24,;-1.72,-5.75,;-.23,-5.35,;3.59,-6.95,;3.59,-8.49,;5.13,-3.25,;6.67,-3.25,;4.36,-1.91,)| Show InChI InChI=1S/C19H20ClN5O/c1-4-11-5-6-12(20)7-13(11)18-14(19(21)26)8-16(25(18)3)15-9-17(22-2)24-10-23-15/h5-10H,4H2,1-3H3,(H2,21,26)(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Assays were performed with the commercially available JAK2 kinase domain (Invitrogen, Eugene, Oreg.) that showed a linear kinetic without prephosphor...				US Patent US9688661 (2017) BindingDB Entry DOI: 10.7270/Q2K35RTP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM174018 (US9688661, 1-(5-Chloro-2-ethylphenyl)-4-(7H-pyrrol...) Show SMILES CCc1ccc(Cl)cc1-c1cn(cc1C(N)=O)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C19H16ClN5O/c1-2-11-3-4-12(20)7-14(11)15-8-25(9-16(15)17(21)26)19-13-5-6-22-18(13)23-10-24-19/h3-10H,2H2,1H3,(H2,21,26)(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Assays were performed with the commercially available JAK2 kinase domain (Invitrogen, Eugene, Oreg.) that showed a linear kinetic without prephosphor...				US Patent US9688661 (2017) BindingDB Entry DOI: 10.7270/Q2K35RTP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM173996 (US9688661, 2-(5-Chloro-2-ethylphenyl)-5-(7H-pyrrol...) Show SMILES CCc1ccc(Cl)cc1-c1nc(cc1C(N)=O)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C19H15ClN5O/c1-2-10-3-4-11(20)7-13(10)16-14(18(21)26)8-15(25-16)17-12-5-6-22-19(12)24-9-23-17/h3-9H,2H2,1H3,(H2,21,26)(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Assays were performed with the commercially available JAK2 kinase domain (Invitrogen, Eugene, Oreg.) that showed a linear kinetic without prephosphor...				US Patent US9688661 (2017) BindingDB Entry DOI: 10.7270/Q2K35RTP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM173987 (US9688661, 5-(6-Aminopyrimidin-4-yl)-2-(5-chloro-2...) Show SMILES CCc1ccc(Cl)cc1-c1nc(cc1C(N)=O)-c1cc(N)ncn1 Show InChI InChI=1S/C17H15ClN5O/c1-2-9-3-4-10(18)5-11(9)16-12(17(20)24)6-14(23-16)13-7-15(19)22-8-21-13/h3-8H,2H2,1H3,(H2,20,24)(H2,19,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Assays were performed with the commercially available JAK2 kinase domain (Invitrogen, Eugene, Oreg.) that showed a linear kinetic without prephosphor...				US Patent US9688661 (2017) BindingDB Entry DOI: 10.7270/Q2K35RTP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM173985 (US9688661, 2-(5-Chloro-2-methylphenyl)-5-(7H-pyrro...) Show SMILES Cc1ccc(Cl)cc1-c1nc(cc1C(N)=O)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C18H13ClN5O/c1-9-2-3-10(19)6-12(9)15-13(17(20)25)7-14(24-15)16-11-4-5-21-18(11)23-8-22-16/h2-8H,1H3,(H2,20,25)(H,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Assays were performed with the commercially available JAK2 kinase domain (Invitrogen, Eugene, Oreg.) that showed a linear kinetic without prephosphor...				US Patent US9688661 (2017) BindingDB Entry DOI: 10.7270/Q2K35RTP
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [833-1187] (Homo sapiens (Human))	BDBM174018 (US9688661, 1-(5-Chloro-2-ethylphenyl)-4-(7H-pyrrol...) Show SMILES CCc1ccc(Cl)cc1-c1cn(cc1C(N)=O)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C19H16ClN5O/c1-2-11-3-4-12(20)7-14(11)15-8-25(9-16(15)17(21)26)19-13-5-6-22-18(13)23-10-24-19/h3-10H,2H2,1H3,(H2,21,26)(H,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Assays were performed with the TYK2 kinase domain (residues 833-1187 of the 1187 amino acid long full-length sequence, accession number P29597 of Uni...				US Patent US9688661 (2017) BindingDB Entry DOI: 10.7270/Q2K35RTP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM191095 (US9181258, 93) Show SMILES NCC[C@H]1CNC(=O)c2cc(c(-c3ccc(O)cc3)n12)-c1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C22H20F3N3O3/c23-22(24,25)31-17-3-1-2-14(10-17)18-11-19-21(30)27-12-15(8-9-26)28(19)20(18)13-4-6-16(29)7-5-13/h1-7,10-11,15,29H,8-9,12,26H2,(H,27,30)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...				US Patent US9181258 (2015) BindingDB Entry DOI: 10.7270/Q2862F7F
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM191100 (US9181258, 96) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1c(cc2C(=O)NC[C@H](CCN)n12)-c1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C23H22F3N3O4S/c1-34(31,32)18-7-5-14(6-8-18)21-19(15-3-2-4-17(11-15)33-23(24,25)26)12-20-22(30)28-13-16(9-10-27)29(20)21/h2-8,11-12,16H,9-10,13,27H2,1H3,(H,28,30)/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...				US Patent US9181258 (2015) BindingDB Entry DOI: 10.7270/Q2862F7F
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM191103 (US9181258, 100) Show SMILES CN1CCN(Cc2ccc(cc2)-c2c(cc3C(=O)NC[C@H](CCN)n23)-c2cccc(OC(F)(F)F)c2)CC1 Show InChI InChI=1S/C28H32F3N5O2/c1-34-11-13-35(14-12-34)18-19-5-7-20(8-6-19)26-24(21-3-2-4-23(15-21)38-28(29,30)31)16-25-27(37)33-17-22(9-10-32)36(25)26/h2-8,15-16,22H,9-14,17-18,32H2,1H3,(H,33,37)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...				US Patent US9181258 (2015) BindingDB Entry DOI: 10.7270/Q2862F7F
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM191104 (US9181258, 101) Show SMILES CN(C)Cc1ccc(cc1)-c1c(cc2C(=O)NC[C@H](CCN)n12)-c1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C25H27F3N4O2/c1-31(2)15-16-6-8-17(9-7-16)23-21(18-4-3-5-20(12-18)34-25(26,27)28)13-22-24(33)30-14-19(10-11-29)32(22)23/h3-9,12-13,19H,10-11,14-15,29H2,1-2H3,(H,30,33)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...				US Patent US9181258 (2015) BindingDB Entry DOI: 10.7270/Q2862F7F
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [861-1152] (Homo sapiens (Human))	BDBM174018 (US9688661, 1-(5-Chloro-2-ethylphenyl)-4-(7H-pyrrol...) Show SMILES CCc1ccc(Cl)cc1-c1cn(cc1C(N)=O)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C19H16ClN5O/c1-2-11-3-4-12(20)7-14(11)15-8-25(9-16(15)17(21)26)19-13-5-6-22-18(13)23-10-24-19/h3-10H,2H2,1H3,(H2,21,26)(H,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...				US Patent US9688661 (2017) BindingDB Entry DOI: 10.7270/Q2K35RTP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM174032 (US9688661, 2-(5-Chloro-2-ethylphenyl)-N-methyl-5-(...) Show SMILES CCc1ccc(Cl)cc1-c1c(cc(-c2ncnc3[nH]ccc23)n1C)C(N)=O |(6.04,-10.51,;5.63,-9.02,;6.72,-7.93,;8.21,-8.33,;9.3,-7.24,;8.9,-5.75,;9.99,-4.66,;7.41,-5.35,;6.32,-6.44,;4.84,-6.05,;4.36,-4.58,;2.82,-4.58,;2.34,-6.05,;.86,-6.44,;-.23,-5.35,;-1.72,-5.75,;-2.12,-7.24,;-1.03,-8.33,;-1.11,-9.87,;.33,-10.42,;1.3,-9.22,;.46,-7.93,;3.59,-6.95,;3.59,-8.49,;5.13,-3.25,;6.67,-3.25,;4.36,-1.91,)| Show InChI InChI=1S/C20H18ClN5O/c1-3-11-4-5-12(21)8-14(11)18-15(19(22)27)9-16(26(18)2)17-13-6-7-23-20(13)25-10-24-17/h4-10H,3H2,1-2H3,(H2,22,27)(H,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Assays were performed with the commercially available JAK2 kinase domain (Invitrogen, Eugene, Oreg.) that showed a linear kinetic without prephosphor...				US Patent US9688661 (2017) BindingDB Entry DOI: 10.7270/Q2K35RTP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM191114 (US9181258, 135) Show SMILES CN1CCN(Cc2ccc(cc2)-c2c(cc3C(=O)NC[C@H](CCCN)n23)-c2cccc(OC(F)(F)F)c2)CC1 Show InChI InChI=1S/C29H34F3N5O2/c1-35-12-14-36(15-13-35)19-20-7-9-21(10-8-20)27-25(22-4-2-6-24(16-22)39-29(30,31)32)17-26-28(38)34-18-23(37(26)27)5-3-11-33/h2,4,6-10,16-17,23H,3,5,11-15,18-19,33H2,1H3,(H,34,38)/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...				US Patent US9181258 (2015) BindingDB Entry DOI: 10.7270/Q2862F7F
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM191119 (US9181258, 120) Show SMILES NCC[C@H]1CNC(=O)c2cc(c(-c3ccc(cc3)S(N)(=O)=O)n12)-c1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C22H21F3N4O4S/c23-22(24,25)33-16-3-1-2-14(10-16)18-11-19-21(30)28-12-15(8-9-26)29(19)20(18)13-4-6-17(7-5-13)34(27,31)32/h1-7,10-11,15H,8-9,12,26H2,(H,28,30)(H2,27,31,32)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...				US Patent US9181258 (2015) BindingDB Entry DOI: 10.7270/Q2862F7F
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM191102 (US9181258, 99) Show SMILES NCC[C@H]1CNC(=O)c2cc(c(-c3ccc(CN4CCOCC4)cc3)n12)-c1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C27H29F3N4O3/c28-27(29,30)37-22-3-1-2-20(14-22)23-15-24-26(35)32-16-21(8-9-31)34(24)25(23)19-6-4-18(5-7-19)17-33-10-12-36-13-11-33/h1-7,14-15,21H,8-13,16-17,31H2,(H,32,35)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...				US Patent US9181258 (2015) BindingDB Entry DOI: 10.7270/Q2862F7F
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM191113 (US9181258, 134) Show SMILES CN(C)Cc1ccc(cc1)-c1c(cc2C(=O)NC[C@H](CCCN)n12)-c1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C26H29F3N4O2/c1-32(2)16-17-8-10-18(11-9-17)24-22(19-5-3-7-21(13-19)35-26(27,28)29)14-23-25(34)31-15-20(33(23)24)6-4-12-30/h3,5,7-11,13-14,20H,4,6,12,15-16,30H2,1-2H3,(H,31,34)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...				US Patent US9181258 (2015) BindingDB Entry DOI: 10.7270/Q2862F7F
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM173984 (US9688661, 2-(5-Chloro-2-ethylphenyl)-5-[6-(methyl...) Show SMILES CNc1cc(ncn1)-c1cc(C(N)=O)c(n1)-c1cc(Cl)ccc1C Show InChI InChI=1S/C17H15ClN5O/c1-9-3-4-10(18)5-11(9)16-12(17(19)24)6-14(23-16)13-7-15(20-2)22-8-21-13/h3-8H,1-2H3,(H2,19,24)(H,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Assays were performed with the commercially available JAK2 kinase domain (Invitrogen, Eugene, Oreg.) that showed a linear kinetic without prephosphor...				US Patent US9688661 (2017) BindingDB Entry DOI: 10.7270/Q2K35RTP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM191103 (US9181258, 100) Show SMILES CN1CCN(Cc2ccc(cc2)-c2c(cc3C(=O)NC[C@H](CCN)n23)-c2cccc(OC(F)(F)F)c2)CC1 Show InChI InChI=1S/C28H32F3N5O2/c1-34-11-13-35(14-12-34)18-19-5-7-20(8-6-19)26-24(21-3-2-4-23(15-21)38-28(29,30)31)16-25-27(37)33-17-22(9-10-32)36(25)26/h2-8,15-16,22H,9-14,17-18,32H2,1H3,(H,33,37)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...				US Patent US9181258 (2015) BindingDB Entry DOI: 10.7270/Q2862F7F
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [833-1187] (Homo sapiens (Human))	BDBM50069326 (CHEMBL3403541 | US9688661, 1-(5-Chloro-2-methylphe...) Show SMILES Cc1ccc(Cl)cc1-n1cc(cc1C(N)=O)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C18H14ClN5O/c1-10-2-3-12(19)7-14(10)24-8-11(6-15(24)17(20)25)16-13-4-5-21-18(13)23-9-22-16/h2-9H,1H3,(H2,20,25)(H,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Assays were performed with the TYK2 kinase domain (residues 833-1187 of the 1187 amino acid long full-length sequence, accession number P29597 of Uni...				US Patent US9688661 (2017) BindingDB Entry DOI: 10.7270/Q2K35RTP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM174008 (US9688661, 2-[2-Ethyl-5-(trifluoromethyl)phenyl]-5...) Show SMILES CCc1ccc(cc1-c1nc(cc1C(N)=O)-c1ncnc2[nH]ccc12)C(F)(F)F Show InChI InChI=1S/C20H15F3N5O/c1-2-10-3-4-11(20(21,22)23)7-13(10)16-14(18(24)29)8-15(28-16)17-12-5-6-25-19(12)27-9-26-17/h3-9H,2H2,1H3,(H2,24,29)(H,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Assays were performed with the commercially available JAK2 kinase domain (Invitrogen, Eugene, Oreg.) that showed a linear kinetic without prephosphor...				US Patent US9688661 (2017) BindingDB Entry DOI: 10.7270/Q2K35RTP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM191129 (US9181258, 130) Show SMILES NCC[C@H]1CNC(=O)c2cc(c(-c3ccc(cc3)C3(N)CC3)n12)-c1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C25H25F3N4O2/c26-25(27,28)34-19-3-1-2-16(12-19)20-13-21-23(33)31-14-18(8-11-29)32(21)22(20)15-4-6-17(7-5-15)24(30)9-10-24/h1-7,12-13,18H,8-11,14,29-30H2,(H,31,33)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...				US Patent US9181258 (2015) BindingDB Entry DOI: 10.7270/Q2862F7F
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM191119 (US9181258, 120) Show SMILES NCC[C@H]1CNC(=O)c2cc(c(-c3ccc(cc3)S(N)(=O)=O)n12)-c1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C22H21F3N4O4S/c23-22(24,25)33-16-3-1-2-14(10-16)18-11-19-21(30)28-12-15(8-9-26)29(19)20(18)13-4-6-17(7-5-13)34(27,31)32/h1-7,10-11,15H,8-9,12,26H2,(H,28,30)(H2,27,31,32)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...				US Patent US9181258 (2015) BindingDB Entry DOI: 10.7270/Q2862F7F
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM191100 (US9181258, 96) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1c(cc2C(=O)NC[C@H](CCN)n12)-c1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C23H22F3N3O4S/c1-34(31,32)18-7-5-14(6-8-18)21-19(15-3-2-4-17(11-15)33-23(24,25)26)12-20-22(30)28-13-16(9-10-27)29(20)21/h2-8,11-12,16H,9-10,13,27H2,1H3,(H,28,30)/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...				US Patent US9181258 (2015) BindingDB Entry DOI: 10.7270/Q2862F7F
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM191120 (US9181258, 126 | US9181258, 129) Show SMILES COc1ccc(cc1Cl)-c1c(cc2C(=O)NC[C@H](CCN)n12)-c1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C23H21ClF3N3O3/c1-32-20-6-5-14(10-18(20)24)21-17(13-3-2-4-16(9-13)33-23(25,26)27)11-19-22(31)29-12-15(7-8-28)30(19)21/h2-6,9-11,15H,7-8,12,28H2,1H3,(H,29,31)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...				US Patent US9181258 (2015) BindingDB Entry DOI: 10.7270/Q2862F7F
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM191126 (US9181258, 121) Show SMILES NCC[C@H]1CNC(=O)c2cc(c(-c3cccc(F)c3)n12)-c1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C22H19F4N3O2/c23-15-5-1-4-14(9-15)20-18(13-3-2-6-17(10-13)31-22(24,25)26)11-19-21(30)28-12-16(7-8-27)29(19)20/h1-6,9-11,16H,7-8,12,27H2,(H,28,30)/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...				US Patent US9181258 (2015) BindingDB Entry DOI: 10.7270/Q2862F7F
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM191110 (US9181258, 115) Show SMILES CN(C)c1ccc(cc1)-c1c(cc2C(=O)NC[C@H](CCN)n12)-c1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C24H25F3N4O2/c1-30(2)17-8-6-15(7-9-17)22-20(16-4-3-5-19(12-16)33-24(25,26)27)13-21-23(32)29-14-18(10-11-28)31(21)22/h3-9,12-13,18H,10-11,14,28H2,1-2H3,(H,29,32)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...				US Patent US9181258 (2015) BindingDB Entry DOI: 10.7270/Q2862F7F
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM191109 (US9181258, 116) Show SMILES COc1ccc(cc1)-c1c(cc2C(=O)NC[C@H](CCN)n12)-c1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C23H22F3N3O3/c1-31-17-7-5-14(6-8-17)21-19(15-3-2-4-18(11-15)32-23(24,25)26)12-20-22(30)28-13-16(9-10-27)29(20)21/h2-8,11-12,16H,9-10,13,27H2,1H3,(H,28,30)/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...				US Patent US9181258 (2015) BindingDB Entry DOI: 10.7270/Q2862F7F
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM173973 (US9688661, 3-(5-Chloro-2-ethylphenyl)-N-methyl-5-(...) Show SMILES CCc1ccc(Cl)cc1-c1cc(-c2ncnc3[nH]ccc23)n(C)c1C(N)=O Show InChI InChI=1S/C20H18ClN5O/c1-3-11-4-5-12(21)8-14(11)15-9-16(26(2)18(15)19(22)27)17-13-6-7-23-20(13)25-10-24-17/h4-10H,3H2,1-2H3,(H2,22,27)(H,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Assays were performed with the commercially available JAK2 kinase domain (Invitrogen, Eugene, Oreg.) that showed a linear kinetic without prephosphor...				US Patent US9688661 (2017) BindingDB Entry DOI: 10.7270/Q2K35RTP
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [833-1187] (Homo sapiens (Human))	BDBM50069316 (CHEMBL3403549 | US9688661, 1-[2-Chloro-5-(trifluor...) Show SMILES NC(=O)c1cc(cn1-c1cc(ccc1Cl)C(F)(F)F)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C18H11ClF3N5O/c19-12-2-1-10(18(20,21)22)6-13(12)27-7-9(5-14(27)16(23)28)15-11-3-4-24-17(11)26-8-25-15/h1-8H,(H2,23,28)(H,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Assays were performed with the TYK2 kinase domain (residues 833-1187 of the 1187 amino acid long full-length sequence, accession number P29597 of Uni...				US Patent US9688661 (2017) BindingDB Entry DOI: 10.7270/Q2K35RTP
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [833-1187] (Homo sapiens (Human))	BDBM173996 (US9688661, 2-(5-Chloro-2-ethylphenyl)-5-(7H-pyrrol...) Show SMILES CCc1ccc(Cl)cc1-c1nc(cc1C(N)=O)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C19H15ClN5O/c1-2-10-3-4-11(20)7-13(10)16-14(18(21)26)8-15(25-16)17-12-5-6-22-19(12)24-9-23-17/h3-9H,2H2,1H3,(H2,21,26)(H,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Assays were performed with the TYK2 kinase domain (residues 833-1187 of the 1187 amino acid long full-length sequence, accession number P29597 of Uni...				US Patent US9688661 (2017) BindingDB Entry DOI: 10.7270/Q2K35RTP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM174037 (US9688661, 2-[2-Ethyl-5-(trifluoromethyl)phenyl]-N...) Show SMILES CCc1ccc(cc1-c1c(cc(-c2ncnc3[nH]ccc23)n1C)C(N)=O)C(F)(F)F |(6.04,-10.51,;5.63,-9.02,;6.72,-7.93,;8.21,-8.33,;9.3,-7.24,;8.9,-5.75,;7.41,-5.35,;6.32,-6.44,;4.84,-6.05,;4.36,-4.58,;2.82,-4.58,;2.34,-6.05,;.86,-6.44,;-.23,-5.35,;-1.72,-5.75,;-2.12,-7.24,;-1.03,-8.33,;-1.11,-9.87,;.33,-10.42,;1.3,-9.22,;.46,-7.93,;3.59,-6.95,;3.59,-8.49,;5.13,-3.25,;6.67,-3.25,;4.36,-1.91,;9.99,-4.66,;9.59,-3.18,;11.48,-5.06,;10.39,-6.15,)| Show InChI InChI=1S/C21H18F3N5O/c1-3-11-4-5-12(21(22,23)24)8-14(11)18-15(19(25)30)9-16(29(18)2)17-13-6-7-26-20(13)28-10-27-17/h4-10H,3H2,1-2H3,(H2,25,30)(H,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Assays were performed with the commercially available JAK2 kinase domain (Invitrogen, Eugene, Oreg.) that showed a linear kinetic without prephosphor...				US Patent US9688661 (2017) BindingDB Entry DOI: 10.7270/Q2K35RTP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM174034 (US9688661, 5-(6-Aminopyrimidin-4-yl)-2-[2-ethyl-5-...) Show SMILES CCc1ccc(cc1-c1c(cc(-c2cc(N)ncn2)n1C)C(N)=O)C(F)(F)F |(6.04,-10.51,;5.63,-9.02,;6.72,-7.93,;8.21,-8.33,;9.3,-7.24,;8.9,-5.75,;7.41,-5.35,;6.32,-6.44,;4.84,-6.05,;4.36,-4.58,;2.82,-4.58,;2.34,-6.05,;.86,-6.44,;.46,-7.93,;-1.03,-8.33,;-1.43,-9.82,;-2.12,-7.24,;-1.72,-5.75,;-.23,-5.35,;3.59,-6.95,;3.59,-8.49,;5.13,-3.25,;6.67,-3.25,;4.36,-1.91,;9.99,-4.66,;9.59,-3.18,;11.48,-5.06,;10.39,-6.15,)| Show InChI InChI=1S/C19H18F3N5O/c1-3-10-4-5-11(19(20,21)22)6-12(10)17-13(18(24)28)7-15(27(17)2)14-8-16(23)26-9-25-14/h4-9H,3H2,1-2H3,(H2,24,28)(H2,23,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Assays were performed with the commercially available JAK2 kinase domain (Invitrogen, Eugene, Oreg.) that showed a linear kinetic without prephosphor...				US Patent US9688661 (2017) BindingDB Entry DOI: 10.7270/Q2K35RTP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [861-1152] (Homo sapiens (Human))	BDBM50069326 (CHEMBL3403541 | US9688661, 1-(5-Chloro-2-methylphe...) Show SMILES Cc1ccc(Cl)cc1-n1cc(cc1C(N)=O)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C18H14ClN5O/c1-10-2-3-12(19)7-14(10)24-8-11(6-15(24)17(20)25)16-13-4-5-21-18(13)23-9-22-16/h2-9H,1H3,(H2,20,25)(H,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...				US Patent US9688661 (2017) BindingDB Entry DOI: 10.7270/Q2K35RTP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM174036 (US9688661, 2-[2-Ethyl-5-(trifluoromethyl)phenyl]-N...) Show SMILES CCc1ccc(cc1-c1c(cc(-c2cc(NC)ncn2)n1C)C(N)=O)C(F)(F)F |(6.04,-10.51,;5.63,-9.02,;6.72,-7.93,;8.21,-8.33,;9.3,-7.24,;8.9,-5.75,;7.41,-5.35,;6.32,-6.44,;4.84,-6.05,;4.36,-4.58,;2.82,-4.58,;2.34,-6.05,;.86,-6.44,;.46,-7.93,;-1.03,-8.33,;-1.43,-9.82,;-2.91,-10.22,;-2.12,-7.24,;-1.72,-5.75,;-.23,-5.35,;3.59,-6.95,;3.59,-8.49,;5.13,-3.25,;6.67,-3.25,;4.36,-1.91,;9.99,-4.66,;9.59,-3.18,;11.48,-5.06,;10.39,-6.15,)| Show InChI InChI=1S/C20H20F3N5O/c1-4-11-5-6-12(20(21,22)23)7-13(11)18-14(19(24)29)8-16(28(18)3)15-9-17(25-2)27-10-26-15/h5-10H,4H2,1-3H3,(H2,24,29)(H,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Assays were performed with the commercially available JAK2 kinase domain (Invitrogen, Eugene, Oreg.) that showed a linear kinetic without prephosphor...				US Patent US9688661 (2017) BindingDB Entry DOI: 10.7270/Q2K35RTP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM174006 (US9688661, 5-(6-Aminopyrimidin-4-yl)-2-[2-ethyl-5-...) Show SMILES CCc1ccc(cc1-c1nc(cc1C(N)=O)-c1cc(N)ncn1)C(F)(F)F Show InChI InChI=1S/C18H15F3N5O/c1-2-9-3-4-10(18(19,20)21)5-11(9)16-12(17(23)27)6-14(26-16)13-7-15(22)25-8-24-13/h3-8H,2H2,1H3,(H2,23,27)(H2,22,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Assays were performed with the commercially available JAK2 kinase domain (Invitrogen, Eugene, Oreg.) that showed a linear kinetic without prephosphor...				US Patent US9688661 (2017) BindingDB Entry DOI: 10.7270/Q2K35RTP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM191107 (US9181258, 104) Show SMILES NCCC[C@H]1CNC(=O)c2cc(c(-c3ccc(O)cc3)n12)-c1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C23H22F3N3O3/c24-23(25,26)32-18-5-1-3-15(11-18)19-12-20-22(31)28-13-16(4-2-10-27)29(20)21(19)14-6-8-17(30)9-7-14/h1,3,5-9,11-12,16,30H,2,4,10,13,27H2,(H,28,31)/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...				US Patent US9181258 (2015) BindingDB Entry DOI: 10.7270/Q2862F7F
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM191075 (US9181258, 83) Show SMILES CN(C)Cc1ccc(cc1)-c1c(cc2C(=O)NCC(CCOC(=O)C(F)(F)F)n12)-c1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C27H25F6N3O4/c1-35(2)15-16-6-8-17(9-7-16)23-21(18-4-3-5-20(12-18)40-27(31,32)33)13-22-24(37)34-14-19(36(22)23)10-11-39-25(38)26(28,29)30/h3-9,12-13,19H,10-11,14-15H2,1-2H3,(H,34,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...				US Patent US9181258 (2015) BindingDB Entry DOI: 10.7270/Q2862F7F
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM191083 (US9181258, 33) Show SMILES NCCC1CNC(=O)c2cc(c(-c3ccc(CO)cc3)n12)-c1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C23H22F3N3O3/c24-23(25,26)32-18-3-1-2-16(10-18)19-11-20-22(31)28-12-17(8-9-27)29(20)21(19)15-6-4-14(13-30)5-7-15/h1-7,10-11,17,30H,8-9,12-13,27H2,(H,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...				US Patent US9181258 (2015) BindingDB Entry DOI: 10.7270/Q2862F7F
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM173970 (US9688661, 3-(5-Chloro-2-ethylphenyl)-5-(7H-pyrrol...) Show SMILES CCc1ccc(Cl)cc1-c1cc(nc1C(N)=O)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C19H15ClN5O/c1-2-10-3-4-11(20)7-13(10)14-8-15(25-17(14)18(21)26)16-12-5-6-22-19(12)24-9-23-16/h3-9H,2H2,1H3,(H2,21,26)(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Assays were performed with the commercially available JAK2 kinase domain (Invitrogen, Eugene, Oreg.) that showed a linear kinetic without prephosphor...				US Patent US9688661 (2017) BindingDB Entry DOI: 10.7270/Q2K35RTP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM174007 (US9688661, 2-[2-Ethyl-5-(trifluoromethyl)phenyl]-5...) Show SMILES CCc1ccc(cc1-c1nc(cc1C(N)=O)-c1cc(NC)ncn1)C(F)(F)F Show InChI InChI=1S/C19H17F3N5O/c1-3-10-4-5-11(19(20,21)22)6-12(10)17-13(18(23)28)7-15(27-17)14-8-16(24-2)26-9-25-14/h4-9H,3H2,1-2H3,(H2,23,28)(H,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Assays were performed with the commercially available JAK2 kinase domain (Invitrogen, Eugene, Oreg.) that showed a linear kinetic without prephosphor...				US Patent US9688661 (2017) BindingDB Entry DOI: 10.7270/Q2K35RTP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [861-1152] (Homo sapiens (Human))	BDBM50069316 (CHEMBL3403549 | US9688661, 1-[2-Chloro-5-(trifluor...) Show SMILES NC(=O)c1cc(cn1-c1cc(ccc1Cl)C(F)(F)F)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C18H11ClF3N5O/c19-12-2-1-10(18(20,21)22)6-13(12)27-7-9(5-14(27)16(23)28)15-11-3-4-24-17(11)26-8-25-15/h1-8H,(H2,23,28)(H,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...				US Patent US9688661 (2017) BindingDB Entry DOI: 10.7270/Q2K35RTP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM173935 (US9688661, 1-(5-Chloro-2-methylphenyl)-4-(7H-pyrro...) Show SMILES Cc1ccc(Cl)cc1-n1cc(cc1C#N)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C18H12ClN5/c1-11-2-3-13(19)7-16(11)24-9-12(6-14(24)8-20)17-15-4-5-21-18(15)23-10-22-17/h2-7,9-10H,1H3,(H,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Assays were performed with the commercially available JAK2 kinase domain (Invitrogen, Eugene, Oreg.) that showed a linear kinetic without prephosphor...				US Patent US9688661 (2017) BindingDB Entry DOI: 10.7270/Q2K35RTP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM174020 (US9688661, 1-(5-Chloro-2-ethylphenyl)-4-(6,7-dihyd...) Show SMILES CCc1ccc(Cl)cc1-n1cn(cc1C(N)=O)-c1ncnc2CCNc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Assays were performed with the commercially available JAK2 kinase domain (Invitrogen, Eugene, Oreg.) that showed a linear kinetic without prephosphor...				US Patent US9688661 (2017) BindingDB Entry DOI: 10.7270/Q2K35RTP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM174029 (US9688661, 5-(6-Aminopyrimidin-4-yl)-2-(5-chloro-2...) Show SMILES CCc1ccc(Cl)cc1-c1c(cc(-c2cc(N)ncn2)n1C)C(=O)NC |(5.69,-9.33,;5.29,-7.84,;6.38,-6.76,;7.87,-7.15,;8.95,-6.07,;8.56,-4.58,;9.64,-3.49,;7.07,-4.18,;5.98,-5.27,;4.49,-4.87,;4.02,-3.41,;2.48,-3.41,;2,-4.87,;.51,-5.27,;-.58,-4.18,;-2.06,-4.58,;-3.15,-3.49,;-2.46,-6.07,;-1.37,-7.15,;.11,-6.76,;3.25,-5.77,;3.25,-7.31,;4.79,-2.07,;4.02,-.74,;6.33,-2.07,;7.1,-.74,)| Show InChI InChI=1S/C19H20ClN5O/c1-4-11-5-6-12(20)7-13(11)18-14(19(26)22-2)8-16(25(18)3)15-9-17(21)24-10-23-15/h5-10H,4H2,1-3H3,(H,22,26)(H2,21,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Assays were performed with the commercially available JAK2 kinase domain (Invitrogen, Eugene, Oreg.) that showed a linear kinetic without prephosphor...				US Patent US9688661 (2017) BindingDB Entry DOI: 10.7270/Q2K35RTP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM191078 (US9181258, 92) Show SMILES Cc1cccc(c1)-c1c(cc2C(=O)NC[C@H](CCN)n12)-c1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C23H22F3N3O2/c1-14-4-2-6-16(10-14)21-19(15-5-3-7-18(11-15)31-23(24,25)26)12-20-22(30)28-13-17(8-9-27)29(20)21/h2-7,10-12,17H,8-9,13,27H2,1H3,(H,28,30)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...				US Patent US9181258 (2015) BindingDB Entry DOI: 10.7270/Q2862F7F
					More data for this Ligand-Target Pair

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