Compile Data Set for Download or QSAR

Found 1388 hits with Last Name = 'usselmann' and Initial = 'p'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosine-protein kinase JAK1 [866-1154] (Homo sapiens (Human))	BDBM294911 (US10112907, Example 00020 | US10766894, Compound T...) Show SMILES C[C@H](Nc1ncc(Cl)c(Nc2cc(C)[nH]n2)n1)c1ncc(F)cn1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for recombinant human Jak1 (aa 866-1154), Jak2 (aa808-1132), J...				US Patent US10112907 (2018) BindingDB Entry DOI: 10.7270/Q2FX7CHW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154] (Homo sapiens (Human))	BDBM294911 (US10112907, Example 00020 | US10766894, Compound T...) Show SMILES C[C@H](Nc1ncc(Cl)c(Nc2cc(C)[nH]n2)n1)c1ncc(F)cn1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE 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
TBA					Assay Description The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ...				Citation and Details BindingDB Entry DOI: 10.7270/Q20K2CRN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM294911 (US10112907, Example 00020 | US10766894, Compound T...) Show SMILES C[C@H](Nc1ncc(Cl)c(Nc2cc(C)[nH]n2)n1)c1ncc(F)cn1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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
NOVARTIS AG US Patent					Assay Description The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ...				US Patent US10766894 (2020) BindingDB Entry DOI: 10.7270/Q2TX3JDH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50021656 (BARICITINIB | INCB-028050 | LY-3009104 | US1011290...) Show SMILES CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ...				US Patent US10766894 (2020) BindingDB Entry DOI: 10.7270/Q2TX3JDH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [808-1132] (Homo sapiens (Human))	BDBM294911 (US10112907, Example 00020 | US10766894, Compound T...) Show SMILES C[C@H](Nc1ncc(Cl)c(Nc2cc(C)[nH]n2)n1)c1ncc(F)cn1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE 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
TBA					Assay Description The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ...				Citation and Details BindingDB Entry DOI: 10.7270/Q20K2CRN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154] (Homo sapiens (Human))	BDBM50021656 (BARICITINIB | INCB-028050 | LY-3009104 | US1011290...) Show SMILES CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ...				Citation and Details BindingDB Entry DOI: 10.7270/Q20K2CRN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154] (Homo sapiens (Human))	BDBM50021656 (BARICITINIB | INCB-028050 | LY-3009104 | US1011290...) Show SMILES CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for recombinant human Jak1 (aa 866-1154), Jak2 (aa808-1132), J...				US Patent US10112907 (2018) BindingDB Entry DOI: 10.7270/Q2FX7CHW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [808-1132] (Homo sapiens (Human))	BDBM294911 (US10112907, Example 00020 | US10766894, Compound T...) Show SMILES C[C@H](Nc1ncc(Cl)c(Nc2cc(C)[nH]n2)n1)c1ncc(F)cn1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for recombinant human Jak1 (aa 866-1154), Jak2 (aa808-1132), J...				US Patent US10112907 (2018) BindingDB Entry DOI: 10.7270/Q2FX7CHW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM294911 (US10112907, Example 00020 | US10766894, Compound T...) Show SMILES C[C@H](Nc1ncc(Cl)c(Nc2cc(C)[nH]n2)n1)c1ncc(F)cn1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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
NOVARTIS AG US Patent					Assay Description The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ...				US Patent US10766894 (2020) BindingDB Entry DOI: 10.7270/Q2TX3JDH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154] (Homo sapiens (Human))	BDBM50355501 (INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...) Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ...				Citation and Details BindingDB Entry DOI: 10.7270/Q20K2CRN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154] (Homo sapiens (Human))	BDBM50402074 (CHEMBL2206059 | US10112907, Example 00024 | US1076...) Show SMILES CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1[C@@H]1C[C@H]2CC[C@@H]1C2 |r| Show InChI InChI=1S/C17H21N5O2S/c1-25(23,24)20-9-15-21-13-8-19-17-12(4-5-18-17)16(13)22(15)14-7-10-2-3-11(14)6-10/h4-5,8,10-11,14,20H,2-3,6-7,9H2,1H3,(H,18,19)/t10-,11+,14+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ...				Citation and Details BindingDB Entry DOI: 10.7270/Q20K2CRN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK1 [866-1154] (Homo sapiens (Human))	BDBM294916 (US10112907, Example 00027 | US10206907, Compound 1...) Show SMILES O=C(Nc1nc2cccc(-c3ccc(OCc4ccc(nc4)C#N)cc3)n2n1)C1CC1 Show InChI InChI=1S/C23H18N6O2/c24-12-18-9-4-15(13-25-18)14-31-19-10-7-16(8-11-19)20-2-1-3-21-26-23(28-29(20)21)27-22(30)17-5-6-17/h1-4,7-11,13,17H,5-6,14H2,(H,27,28,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ...				Citation and Details BindingDB Entry DOI: 10.7270/Q20K2CRN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50355501 (INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...) Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ...				US Patent US10766894 (2020) BindingDB Entry DOI: 10.7270/Q2TX3JDH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154] (Homo sapiens (Human))	BDBM294916 (US10112907, Example 00027 | US10206907, Compound 1...) Show SMILES O=C(Nc1nc2cccc(-c3ccc(OCc4ccc(nc4)C#N)cc3)n2n1)C1CC1 Show InChI InChI=1S/C23H18N6O2/c24-12-18-9-4-15(13-25-18)14-31-19-10-7-16(8-11-19)20-2-1-3-21-26-23(28-29(20)21)27-22(30)17-5-6-17/h1-4,7-11,13,17H,5-6,14H2,(H,27,28,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for recombinant human Jak1 (aa 866-1154), Jak2 (aa808-1132), J...				US Patent US10112907 (2018) BindingDB Entry DOI: 10.7270/Q2FX7CHW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM294916 (US10112907, Example 00027 | US10206907, Compound 1...) Show SMILES O=C(Nc1nc2cccc(-c3ccc(OCc4ccc(nc4)C#N)cc3)n2n1)C1CC1 Show InChI InChI=1S/C23H18N6O2/c24-12-18-9-4-15(13-25-18)14-31-19-10-7-16(8-11-19)20-2-1-3-21-26-23(28-29(20)21)27-22(30)17-5-6-17/h1-4,7-11,13,17H,5-6,14H2,(H,27,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ...				US Patent US10766894 (2020) BindingDB Entry DOI: 10.7270/Q2TX3JDH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154] (Homo sapiens (Human))	BDBM50355501 (INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...) Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for recombinant human Jak1 (aa 866-1154), Jak2 (aa808-1132), J...				US Patent US10112907 (2018) BindingDB Entry DOI: 10.7270/Q2FX7CHW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154] (Homo sapiens (Human))	BDBM50402074 (CHEMBL2206059 | US10112907, Example 00024 | US1076...) Show SMILES CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1[C@@H]1C[C@H]2CC[C@@H]1C2 |r| Show InChI InChI=1S/C17H21N5O2S/c1-25(23,24)20-9-15-21-13-8-19-17-12(4-5-18-17)16(13)22(15)14-7-10-2-3-11(14)6-10/h4-5,8,10-11,14,20H,2-3,6-7,9H2,1H3,(H,18,19)/t10-,11+,14+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for recombinant human Jak1 (aa 866-1154), Jak2 (aa808-1132), J...				US Patent US10112907 (2018) BindingDB Entry DOI: 10.7270/Q2FX7CHW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50402074 (CHEMBL2206059 | US10112907, Example 00024 | US1076...) Show SMILES CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1[C@@H]1C[C@H]2CC[C@@H]1C2 |r| Show InChI InChI=1S/C17H21N5O2S/c1-25(23,24)20-9-15-21-13-8-19-17-12(4-5-18-17)16(13)22(15)14-7-10-2-3-11(14)6-10/h4-5,8,10-11,14,20H,2-3,6-7,9H2,1H3,(H,18,19)/t10-,11+,14+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ...				US Patent US10766894 (2020) BindingDB Entry DOI: 10.7270/Q2TX3JDH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK2 [808-1132] (Homo sapiens (Human))	BDBM50355501 (INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...) Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ...				Citation and Details BindingDB Entry DOI: 10.7270/Q20K2CRN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Non-receptor tyrosine-protein kinase TYK2 [888-1187] (Homo sapiens (Human))	BDBM294911 (US10112907, Example 00020 | US10766894, Compound T...) Show SMILES C[C@H](Nc1ncc(Cl)c(Nc2cc(C)[nH]n2)n1)c1ncc(F)cn1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ...				Citation and Details BindingDB Entry DOI: 10.7270/Q20K2CRN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154] (Homo sapiens (Human))	BDBM462294 (US10766894, Compound TABLE 1.11 | US11203595, TABL...) Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@@H]1CC[C@H](C[C@H]1C#N)N1CCC1 |r| Show InChI InChI=1S/C21H23F3N6O/c22-21(23,24)14-2-4-15(5-3-14)27-20-17(19(26)31)12-30(28-20)18-7-6-16(10-13(18)11-25)29-8-1-9-29/h2-5,12-13,16,18H,1,6-10H2,(H2,26,31)(H,27,28)/t13-,16+,18+/m0/s1	PDB UniProtKB/SwissProt 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
TBA					Assay Description The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ...				Citation and Details BindingDB Entry DOI: 10.7270/Q20K2CRN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50355501 (INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...) Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ...				US Patent US10766894 (2020) BindingDB Entry DOI: 10.7270/Q2TX3JDH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK1 [866-1154] (Homo sapiens (Human))	BDBM294915 (US10112907, Example 00026) Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@@H]1CC[C@H](C[C@H]1[N+]#[C-])N1CCC1 |r| Show InChI InChI=1S/C21H23F3N6O/c1-26-17-11-15(29-9-2-10-29)7-8-18(17)30-12-16(19(25)31)20(28-30)27-14-5-3-13(4-6-14)21(22,23)24/h3-6,12,15,17-18H,2,7-11H2,(H2,25,31)(H,27,28)/t15-,17-,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for recombinant human Jak1 (aa 866-1154), Jak2 (aa808-1132), J...				US Patent US10112907 (2018) BindingDB Entry DOI: 10.7270/Q2FX7CHW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM462294 (US10766894, Compound TABLE 1.11 | US11203595, TABL...) Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@@H]1CC[C@H](C[C@H]1C#N)N1CCC1 |r| Show InChI InChI=1S/C21H23F3N6O/c22-21(23,24)14-2-4-15(5-3-14)27-20-17(19(26)31)12-30(28-20)18-7-6-16(10-13(18)11-25)29-8-1-9-29/h2-5,12-13,16,18H,1,6-10H2,(H2,26,31)(H,27,28)/t13-,16+,18+/m0/s1	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
NOVARTIS AG US Patent					Assay Description The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ...				US Patent US10766894 (2020) BindingDB Entry DOI: 10.7270/Q2TX3JDH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [808-1132] (Homo sapiens (Human))	BDBM50355501 (INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...) Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for recombinant human Jak1 (aa 866-1154), Jak2 (aa808-1132), J...				US Patent US10112907 (2018) BindingDB Entry DOI: 10.7270/Q2FX7CHW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Non-receptor tyrosine-protein kinase TYK2 [888-1187] (Homo sapiens (Human))	BDBM294911 (US10112907, Example 00020 | US10766894, Compound T...) Show SMILES C[C@H](Nc1ncc(Cl)c(Nc2cc(C)[nH]n2)n1)c1ncc(F)cn1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for recombinant human Jak1 (aa 866-1154), Jak2 (aa808-1132), J...				US Patent US10112907 (2018) BindingDB Entry DOI: 10.7270/Q2FX7CHW
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM294911 (US10112907, Example 00020 | US10766894, Compound T...) Show SMILES C[C@H](Nc1ncc(Cl)c(Nc2cc(C)[nH]n2)n1)c1ncc(F)cn1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ...				US Patent US10766894 (2020) BindingDB Entry DOI: 10.7270/Q2TX3JDH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154] (Homo sapiens (Human))	BDBM147644 (US10766894, Compound TABLE 1.6 | US11203595, TABLE...) Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@@H](O)C[C@@H]1C#N |r| Show InChI InChI=1S/C18H18F3N5O2/c19-18(20,21)11-1-3-12(4-2-11)24-17-14(16(23)28)9-26(25-17)15-6-5-13(27)7-10(15)8-22/h1-4,9-10,13,15,27H,5-7H2,(H2,23,28)(H,24,25)/t10-,13-,15+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	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
TBA					Assay Description The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ...				Citation and Details BindingDB Entry DOI: 10.7270/Q20K2CRN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [808-1132] (Homo sapiens (Human))	BDBM50021656 (BARICITINIB | INCB-028050 | LY-3009104 | US1011290...) Show SMILES CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ...				Citation and Details BindingDB Entry DOI: 10.7270/Q20K2CRN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK1 [866-1154] (Homo sapiens (Human))	BDBM50193995 (3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...) Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ...				Citation and Details BindingDB Entry DOI: 10.7270/Q20K2CRN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM147644 (US10766894, Compound TABLE 1.6 | US11203595, TABLE...) Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@@H](O)C[C@@H]1C#N |r| Show InChI InChI=1S/C18H18F3N5O2/c19-18(20,21)11-1-3-12(4-2-11)24-17-14(16(23)28)9-26(25-17)15-6-5-13(27)7-10(15)8-22/h1-4,9-10,13,15,27H,5-7H2,(H2,23,28)(H,24,25)/t10-,13-,15+/m1/s1	PDB Reactome pathway 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	n/a	n/a
NOVARTIS AG US Patent					Assay Description The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ...				US Patent US10766894 (2020) BindingDB Entry DOI: 10.7270/Q2TX3JDH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154] (Homo sapiens (Human))	BDBM50193995 (3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...) Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for recombinant human Jak1 (aa 866-1154), Jak2 (aa808-1132), J...				US Patent US10112907 (2018) BindingDB Entry DOI: 10.7270/Q2FX7CHW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50193995 (3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...) Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ...				US Patent US10766894 (2020) BindingDB Entry DOI: 10.7270/Q2TX3JDH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK1 [866-1154] (Homo sapiens (Human))	BDBM294912 (US10112907, Example 00021) Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@@H](O)C[C@@H]1[N+]#[C-] |r| Show InChI InChI=1S/C18H18F3N5O2/c1-23-14-8-12(27)6-7-15(14)26-9-13(16(22)28)17(25-26)24-11-4-2-10(3-5-11)18(19,20)21/h2-5,9,12,14-15,27H,6-8H2,(H2,22,28)(H,24,25)/t12-,14+,15+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for recombinant human Jak1 (aa 866-1154), Jak2 (aa808-1132), J...				US Patent US10112907 (2018) BindingDB Entry DOI: 10.7270/Q2FX7CHW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [808-1132] (Homo sapiens (Human))	BDBM50021656 (BARICITINIB | INCB-028050 | LY-3009104 | US1011290...) Show SMILES CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for recombinant human Jak1 (aa 866-1154), Jak2 (aa808-1132), J...				US Patent US10112907 (2018) BindingDB Entry DOI: 10.7270/Q2FX7CHW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50021656 (BARICITINIB | INCB-028050 | LY-3009104 | US1011290...) Show SMILES CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ...				US Patent US10766894 (2020) BindingDB Entry DOI: 10.7270/Q2TX3JDH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Activin receptor type-1 [172-499] (Homo sapiens (Human))	BDBM451769 (US10710980, Example 1 | US10947218, Example 1) Show SMILES CS(=O)(=O)N1CCC(CC1)N1C[C@H]2C[C@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:14.18,32.36,wD:12.13,35.40,(7.28,-6.06,;8.77,-5.66,;8.77,-7.2,;10.26,-5.27,;8.14,-4.26,;6.61,-4.1,;5.99,-2.69,;6.89,-1.44,;8.42,-1.6,;9.05,-3.01,;6.27,-.04,;7.04,1.3,;6,2.44,;4.76,3.35,;4.6,1.81,;4.76,.28,;3.26,2.58,;1.93,1.81,;.6,2.58,;.6,4.12,;1.93,4.89,;3.26,4.12,;-.74,4.89,;-.74,6.43,;-2.07,7.2,;-3.4,6.43,;-4.74,7.2,;-3.4,4.89,;-2.07,4.12,;-4.74,4.12,;-6.07,4.89,;-4.74,2.58,;-6.07,1.81,;-6.21,.28,;-7.6,-.37,;-8.86,.51,;-10.26,-.14,;-8.73,2.05,;-7.33,2.7,)| Show InChI InChI=1S/C29H39N5O4S/c1-39(37,38)34-12-10-24(11-13-34)33-17-22-15-29(22,18-33)21-4-2-19(3-5-21)20-14-26(27(30)31-16-20)28(36)32-23-6-8-25(35)9-7-23/h2-5,14,16,22-25,35H,6-13,15,17-18H2,1H3,(H2,30,31)(H,32,36)/t22-,23-,25-,29+/m1/s1	PDB UniProtKB/SwissProt 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
NOVARTIS AG US Patent					Assay Description A kinase selectivity panel which measures autophosphorylation using the ADP-Glo Kinase Assay (Promega, V9101) was set-up for wild-type ALK2 (aa172-49...				US Patent US10947218 (2021) BindingDB Entry DOI: 10.7270/Q24F1TVV
					More data for this Ligand-Target Pair
Activin receptor type-1 [172-499] (Homo sapiens (Human))	BDBM451772 (US10710980, Example 4 | US10947218, Example 4) Show SMILES C[C@H](N1CC2(COC2)C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:1.0,25.28,wD:28.32,(5.54,-3.46,;5.54,-1.92,;6.88,-1.16,;8.36,-1.55,;8.76,-.07,;10.25,-.46,;10.65,1.02,;9.16,1.42,;7.27,.33,;4.21,-1.16,;2.87,-1.92,;1.54,-1.16,;1.54,.38,;2.87,1.16,;4.21,.38,;.21,1.16,;.21,2.7,;-1.13,3.46,;-2.46,2.7,;-3.79,3.46,;-2.46,1.16,;-1.13,.38,;-3.79,.38,;-3.79,-1.16,;-5.13,1.16,;-6.46,.38,;-6.6,-1.15,;-7.99,-1.8,;-9.25,-.92,;-10.65,-1.57,;-9.12,.62,;-7.72,1.27,)| Show InChI InChI=1S/C25H32N4O3/c1-16(29-12-25(13-29)14-32-15-25)17-2-4-18(5-3-17)19-10-22(23(26)27-11-19)24(31)28-20-6-8-21(30)9-7-20/h2-5,10-11,16,20-21,30H,6-9,12-15H2,1H3,(H2,26,27)(H,28,31)/t16-,20-,21-/m0/s1	PDB UniProtKB/SwissProt 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
Novartis AG US Patent					Assay Description The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 6 ul. Dose-response curves were generated by ...				US Patent US10710980 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V81
					More data for this Ligand-Target Pair
Activin receptor type-1 [172-499] (Homo sapiens (Human))	BDBM451769 (US10710980, Example 1 | US10947218, Example 1) Show SMILES CS(=O)(=O)N1CCC(CC1)N1C[C@H]2C[C@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:14.18,32.36,wD:12.13,35.40,(7.28,-6.06,;8.77,-5.66,;8.77,-7.2,;10.26,-5.27,;8.14,-4.26,;6.61,-4.1,;5.99,-2.69,;6.89,-1.44,;8.42,-1.6,;9.05,-3.01,;6.27,-.04,;7.04,1.3,;6,2.44,;4.76,3.35,;4.6,1.81,;4.76,.28,;3.26,2.58,;1.93,1.81,;.6,2.58,;.6,4.12,;1.93,4.89,;3.26,4.12,;-.74,4.89,;-.74,6.43,;-2.07,7.2,;-3.4,6.43,;-4.74,7.2,;-3.4,4.89,;-2.07,4.12,;-4.74,4.12,;-6.07,4.89,;-4.74,2.58,;-6.07,1.81,;-6.21,.28,;-7.6,-.37,;-8.86,.51,;-10.26,-.14,;-8.73,2.05,;-7.33,2.7,)| Show InChI InChI=1S/C29H39N5O4S/c1-39(37,38)34-12-10-24(11-13-34)33-17-22-15-29(22,18-33)21-4-2-19(3-5-21)20-14-26(27(30)31-16-20)28(36)32-23-6-8-25(35)9-7-23/h2-5,14,16,22-25,35H,6-13,15,17-18H2,1H3,(H2,30,31)(H,32,36)/t22-,23-,25-,29+/m1/s1	PDB UniProtKB/SwissProt 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
Novartis AG US Patent					Assay Description The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 6 ul. Dose-response curves were generated by ...				US Patent US10710980 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V81
					More data for this Ligand-Target Pair
Activin receptor type-1 [172-499] (Homo sapiens (Human))	BDBM451772 (US10710980, Example 4 | US10947218, Example 4) Show SMILES C[C@H](N1CC2(COC2)C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:1.0,25.28,wD:28.32,(5.54,-3.46,;5.54,-1.92,;6.88,-1.16,;8.36,-1.55,;8.76,-.07,;10.25,-.46,;10.65,1.02,;9.16,1.42,;7.27,.33,;4.21,-1.16,;2.87,-1.92,;1.54,-1.16,;1.54,.38,;2.87,1.16,;4.21,.38,;.21,1.16,;.21,2.7,;-1.13,3.46,;-2.46,2.7,;-3.79,3.46,;-2.46,1.16,;-1.13,.38,;-3.79,.38,;-3.79,-1.16,;-5.13,1.16,;-6.46,.38,;-6.6,-1.15,;-7.99,-1.8,;-9.25,-.92,;-10.65,-1.57,;-9.12,.62,;-7.72,1.27,)| Show InChI InChI=1S/C25H32N4O3/c1-16(29-12-25(13-29)14-32-15-25)17-2-4-18(5-3-17)19-10-22(23(26)27-11-19)24(31)28-20-6-8-21(30)9-7-20/h2-5,10-11,16,20-21,30H,6-9,12-15H2,1H3,(H2,26,27)(H,28,31)/t16-,20-,21-/m0/s1	PDB UniProtKB/SwissProt 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
NOVARTIS AG US Patent					Assay Description A kinase selectivity panel which measures autophosphorylation using the ADP-Glo Kinase Assay (Promega, V9101) was set-up for wild-type ALK2 (aa172-49...				US Patent US10947218 (2021) BindingDB Entry DOI: 10.7270/Q24F1TVV
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187] (Homo sapiens (Human))	BDBM50355501 (INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...) Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ...				Citation and Details BindingDB Entry DOI: 10.7270/Q20K2CRN
					More data for this Ligand-Target Pair
Activin receptor type-1 [172-499] (Homo sapiens (Human))	BDBM451789 (US10710980, Example 21 | US10947218, Example 21) Show SMILES Nc1ncc(cc1C(=O)N[C@@H]1CC[C@@H](O)[C@@H](F)C1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(C2)C1CCOCC1 |r| Show InChI InChI=1S/C28H35FN4O3/c29-24-12-21(5-6-25(24)34)32-27(35)23-11-18(14-31-26(23)30)17-1-3-19(4-2-17)28-13-20(28)15-33(16-28)22-7-9-36-10-8-22/h1-4,11,14,20-22,24-25,34H,5-10,12-13,15-16H2,(H2,30,31)(H,32,35)/t20-,21-,24+,25-,28+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description A kinase selectivity panel which measures autophosphorylation using the ADP-Glo Kinase Assay (Promega, V9101) was set-up for wild-type ALK2 (aa172-49...				US Patent US10947218 (2021) BindingDB Entry DOI: 10.7270/Q24F1TVV
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187] (Homo sapiens (Human))	BDBM50355501 (INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...) Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for recombinant human Jak1 (aa 866-1154), Jak2 (aa808-1132), J...				US Patent US10112907 (2018) BindingDB Entry DOI: 10.7270/Q2FX7CHW
					More data for this Ligand-Target Pair
Activin receptor type-1 [172-499] (Homo sapiens (Human))	BDBM451789 (US10710980, Example 21 | US10947218, Example 21) Show SMILES Nc1ncc(cc1C(=O)N[C@@H]1CC[C@@H](O)[C@@H](F)C1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(C2)C1CCOCC1 |r| Show InChI InChI=1S/C28H35FN4O3/c29-24-12-21(5-6-25(24)34)32-27(35)23-11-18(14-31-26(23)30)17-1-3-19(4-2-17)28-13-20(28)15-33(16-28)22-7-9-36-10-8-22/h1-4,11,14,20-22,24-25,34H,5-10,12-13,15-16H2,(H2,30,31)(H,32,35)/t20-,21-,24+,25-,28+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 6 ul. Dose-response curves were generated by ...				US Patent US10710980 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V81
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50355501 (INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...) Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ...				US Patent US10766894 (2020) BindingDB Entry DOI: 10.7270/Q2TX3JDH
					More data for this Ligand-Target Pair
Activin receptor type-1 [172-499] (Homo sapiens (Human))	BDBM451798 (US10710980, Example 30 | US10947218, Example 30) Show SMILES Nc1ncc(cc1C(=O)NC12CC(CO)(C1)C2)-c1ccc(cc1)[C@@]12C[C@@H]1CN(C2)C1CCOCC1 |r| Show InChI InChI=1S/C28H34N4O3/c29-24-23(25(34)31-27-13-26(14-27,15-27)17-33)9-19(11-30-24)18-1-3-20(4-2-18)28-10-21(28)12-32(16-28)22-5-7-35-8-6-22/h1-4,9,11,21-22,33H,5-8,10,12-17H2,(H2,29,30)(H,31,34)/t21-,26?,27?,28+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description A kinase selectivity panel which measures autophosphorylation using the ADP-Glo Kinase Assay (Promega, V9101) was set-up for wild-type ALK2 (aa172-49...				US Patent US10947218 (2021) BindingDB Entry DOI: 10.7270/Q24F1TVV
					More data for this Ligand-Target Pair
Activin receptor type-1 [172-499] (Homo sapiens (Human))	BDBM451806 (US10710980, Example 38 | US10947218, Example 38) Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(CC1COC1)C2 |r,wU:25.27,10.10,wD:23.25,13.14,(-4.7,4.87,;-3.37,4.1,;-2.03,4.87,;-.7,4.1,;-.7,2.56,;-2.03,1.79,;-3.37,2.56,;-4.7,1.79,;-6.03,2.56,;-4.7,.25,;-6.19,-.15,;-6.58,-1.64,;-8.07,-2.04,;-9.16,-.95,;-10.65,-1.35,;-8.76,.54,;-7.28,.94,;.64,1.79,;.64,.25,;1.97,-.52,;3.3,.25,;3.3,1.79,;1.97,2.56,;4.64,-.52,;4.8,1.01,;6.04,.11,;7.07,-1.04,;6.3,-2.37,;6.93,-3.78,;8.47,-3.78,;9.56,-4.87,;10.65,-3.78,;9.56,-2.69,;4.8,-2.05,)| Show InChI InChI=1S/C27H34N4O3/c28-25-24(26(33)30-22-5-7-23(32)8-6-22)9-19(11-29-25)18-1-3-20(4-2-18)27-10-21(27)13-31(16-27)12-17-14-34-15-17/h1-4,9,11,17,21-23,32H,5-8,10,12-16H2,(H2,28,29)(H,30,33)/t21-,22-,23-,27+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description A kinase selectivity panel which measures autophosphorylation using the ADP-Glo Kinase Assay (Promega, V9101) was set-up for wild-type ALK2 (aa172-49...				US Patent US10947218 (2021) BindingDB Entry DOI: 10.7270/Q24F1TVV
					More data for this Ligand-Target Pair
Activin receptor type-1 [172-499,R206H] (Homo sapiens (Human))	BDBM451772 (US10710980, Example 4 | US10947218, Example 4) Show SMILES C[C@H](N1CC2(COC2)C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:1.0,25.28,wD:28.32,(5.54,-3.46,;5.54,-1.92,;6.88,-1.16,;8.36,-1.55,;8.76,-.07,;10.25,-.46,;10.65,1.02,;9.16,1.42,;7.27,.33,;4.21,-1.16,;2.87,-1.92,;1.54,-1.16,;1.54,.38,;2.87,1.16,;4.21,.38,;.21,1.16,;.21,2.7,;-1.13,3.46,;-2.46,2.7,;-3.79,3.46,;-2.46,1.16,;-1.13,.38,;-3.79,.38,;-3.79,-1.16,;-5.13,1.16,;-6.46,.38,;-6.6,-1.15,;-7.99,-1.8,;-9.25,-.92,;-10.65,-1.57,;-9.12,.62,;-7.72,1.27,)| Show InChI InChI=1S/C25H32N4O3/c1-16(29-12-25(13-29)14-32-15-25)17-2-4-18(5-3-17)19-10-22(23(26)27-11-19)24(31)28-20-6-8-21(30)9-7-20/h2-5,10-11,16,20-21,30H,6-9,12-15H2,1H3,(H2,26,27)(H,28,31)/t16-,20-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for wild-type ALK2 (aa172-499), ALK2 FOP mutant (aa172-499 R20...				US Patent US10947218 (2021) BindingDB Entry DOI: 10.7270/Q24F1TVV
					More data for this Ligand-Target Pair
Activin receptor type-1 [172-499] (Homo sapiens (Human))	BDBM451788 (US10710980, Example 20 | US10947218, Example 20) Show SMILES COCCN1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:6.6,26.29,wD:8.11,29.33,(10.71,-4.99,;9.18,-4.99,;8.41,-3.66,;6.86,-3.66,;6.24,-2.25,;7.01,-.92,;5.98,.23,;4.73,1.13,;4.57,-.4,;4.73,-1.93,;3.24,.37,;1.9,-.4,;.57,.37,;.57,1.91,;1.9,2.68,;3.24,1.91,;-.76,2.68,;-.76,4.22,;-2.1,4.99,;-3.43,4.22,;-4.76,4.99,;-3.43,2.68,;-2.1,1.91,;-4.76,1.91,;-6.1,2.68,;-4.76,.37,;-6.25,-.03,;-6.65,-1.51,;-8.14,-1.91,;-9.23,-.82,;-10.71,-1.22,;-8.83,.66,;-7.34,1.06,)| Show InChI InChI=1S/C26H34N4O3/c1-33-11-10-30-15-20-13-26(20,16-30)19-4-2-17(3-5-19)18-12-23(24(27)28-14-18)25(32)29-21-6-8-22(31)9-7-21/h2-5,12,14,20-22,31H,6-11,13,15-16H2,1H3,(H2,27,28)(H,29,32)/t20-,21-,22-,26+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description A kinase selectivity panel which measures autophosphorylation using the ADP-Glo Kinase Assay (Promega, V9101) was set-up for wild-type ALK2 (aa172-49...				US Patent US10947218 (2021) BindingDB Entry DOI: 10.7270/Q24F1TVV
					More data for this Ligand-Target Pair
Activin receptor type-1 [172-499,R206H] (Homo sapiens (Human))	BDBM451806 (US10710980, Example 38 | US10947218, Example 38) Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(CC1COC1)C2 |r,wU:25.27,10.10,wD:23.25,13.14,(-4.7,4.87,;-3.37,4.1,;-2.03,4.87,;-.7,4.1,;-.7,2.56,;-2.03,1.79,;-3.37,2.56,;-4.7,1.79,;-6.03,2.56,;-4.7,.25,;-6.19,-.15,;-6.58,-1.64,;-8.07,-2.04,;-9.16,-.95,;-10.65,-1.35,;-8.76,.54,;-7.28,.94,;.64,1.79,;.64,.25,;1.97,-.52,;3.3,.25,;3.3,1.79,;1.97,2.56,;4.64,-.52,;4.8,1.01,;6.04,.11,;7.07,-1.04,;6.3,-2.37,;6.93,-3.78,;8.47,-3.78,;9.56,-4.87,;10.65,-3.78,;9.56,-2.69,;4.8,-2.05,)| Show InChI InChI=1S/C27H34N4O3/c28-25-24(26(33)30-22-5-7-23(32)8-6-22)9-19(11-29-25)18-1-3-20(4-2-18)27-10-21(27)13-31(16-27)12-17-14-34-15-17/h1-4,9,11,17,21-23,32H,5-8,10,12-16H2,(H2,28,29)(H,30,33)/t21-,22-,23-,27+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for wild-type ALK2 (aa172-499), ALK2 FOP mutant (aa172-499 R20...				US Patent US10947218 (2021) BindingDB Entry DOI: 10.7270/Q24F1TVV
					More data for this Ligand-Target Pair

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