Compile Data Set for Download or QSAR

Found 794 hits Enz. Inhib. hit(s) with all data for entry = 3438   

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 [828-1132] (Homo sapiens (Human))	BDBM400429 (US10695337, Example 184 | US11285140, Example 184 ...) Show SMILES Clc1ccc(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)cc1 Show InChI InChI=1S/C26H26ClN9O/c27-19-1-3-20(4-2-19)33-25(37)34-11-6-21(7-12-34)35-15-26(16-35,8-9-28)36-14-18(13-32-36)23-22-5-10-29-24(22)31-17-30-23/h1-5,10,13-14,17,21H,6-8,11-12,15-16H2,(H,33,37)(H,29,30,31)	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
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132] (Homo sapiens (Human))	BDBM400438 (US10695337, Example 193 | US11285140, Example 193 ...) Show SMILES O=C(Nc1nc2ccccc2s1)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C27H26N10OS/c28-9-8-27(37-14-18(13-32-37)23-20-5-10-29-24(20)31-17-30-23)15-36(16-27)19-6-11-35(12-7-19)26(38)34-25-33-21-3-1-2-4-22(21)39-25/h1-5,10,13-14,17,19H,6-8,11-12,15-16H2,(H,29,30,31)(H,33,34,38)	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
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132] (Homo sapiens (Human))	BDBM400439 (US10695337, Example 194 | US11285140, Example 194 ...) Show SMILES Cn1c(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc2ccccc12 Show InChI InChI=1S/C28H29N11O/c1-36-23-5-3-2-4-22(23)34-26(36)35-27(40)37-12-7-20(8-13-37)38-16-28(17-38,9-10-29)39-15-19(14-33-39)24-21-6-11-30-25(21)32-18-31-24/h2-6,11,14-15,18,20H,7-9,12-13,16-17H2,1H3,(H,30,31,32)(H,34,35,40)	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
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132] (Homo sapiens (Human))	BDBM400451 (US10695337, Example 206 | US11285140, Example 206 ...) Show SMILES COC(=O)c1ccccc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C28H29N9O3/c1-40-26(38)21-4-2-3-5-23(21)34-27(39)35-12-7-20(8-13-35)36-16-28(17-36,9-10-29)37-15-19(14-33-37)24-22-6-11-30-25(22)32-18-31-24/h2-6,11,14-15,18,20H,7-9,12-13,16-17H2,1H3,(H,34,39)(H,30,31,32)	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
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132] (Homo sapiens (Human))	BDBM400452 (US10695337, Example 207 | US11285140, Example 207 ...) Show SMILES COC(=O)c1cc(F)ccc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C28H28FN9O3/c1-41-26(39)22-12-19(29)2-3-23(22)35-27(40)36-10-5-20(6-11-36)37-15-28(16-37,7-8-30)38-14-18(13-34-38)24-21-4-9-31-25(21)33-17-32-24/h2-4,9,12-14,17,20H,5-7,10-11,15-16H2,1H3,(H,35,40)(H,31,32,33)	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
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132] (Homo sapiens (Human))	BDBM400455 (US10695337, Example 210 | US11285140, Example 210 ...) Show SMILES Clc1cc(Cl)cc(CN2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c1 Show InChI InChI=1S/C26H26Cl2N8/c27-20-9-18(10-21(28)11-20)13-34-7-2-22(3-8-34)35-15-26(16-35,4-5-29)36-14-19(12-33-36)24-23-1-6-30-25(23)32-17-31-24/h1,6,9-12,14,17,22H,2-4,7-8,13,15-16H2,(H,30,31,32)	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
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132] (Homo sapiens (Human))	BDBM400472 (US10695337, Example 227 | US11285140, Example 227 ...) Show SMILES Fc1cccc(Cl)c1CN1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C26H26ClFN8/c27-22-2-1-3-23(28)21(22)14-34-10-5-19(6-11-34)35-15-26(16-35,7-8-29)36-13-18(12-33-36)24-20-4-9-30-25(20)32-17-31-24/h1-4,9,12-13,17,19H,5-7,10-11,14-16H2,(H,30,31,32)	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
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132] (Homo sapiens (Human))	BDBM400473 (US10695337, Example 228 | US11285140, Example 228 ...) Show SMILES Fc1ccc(Cl)c(F)c1CN1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C26H25ClF2N8/c27-21-1-2-22(28)20(23(21)29)13-35-9-4-18(5-10-35)36-14-26(15-36,6-7-30)37-12-17(11-34-37)24-19-3-8-31-25(19)33-16-32-24/h1-3,8,11-12,16,18H,4-6,9-10,13-15H2,(H,31,32,33)	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
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132] (Homo sapiens (Human))	BDBM400477 (US10695337, Example 232 | US11285140, Example 232 ...) Show SMILES N#CCC1(CN(C1)C1CCN(Cc2cc3ccccc3o2)CC1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C28H28N8O/c29-9-8-28(36-15-21(14-33-36)26-24-5-10-30-27(24)32-19-31-26)17-35(18-28)22-6-11-34(12-7-22)16-23-13-20-3-1-2-4-25(20)37-23/h1-5,10,13-15,19,22H,6-8,11-12,16-18H2,(H,30,31,32)	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
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132] (Homo sapiens (Human))	BDBM400481 (US10695337, Example 236 | US11285140, Example 236 ...) Show SMILES Fc1c(Cl)ccc(c1CN1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C(F)(F)F Show InChI InChI=1S/C27H25ClF4N8/c28-22-2-1-21(27(30,31)32)20(23(22)29)13-38-9-4-18(5-10-38)39-14-26(15-39,6-7-33)40-12-17(11-37-40)24-19-3-8-34-25(19)36-16-35-24/h1-3,8,11-12,16,18H,4-6,9-10,13-15H2,(H,34,35,36)	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
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132] (Homo sapiens (Human))	BDBM400486 (US10695337, Example 241 | US11285140, Example 241 ...) Show SMILES Fc1ccc(F)c(CN2C3CCC2CC(C3)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c1Cl |THB:16:14:8:10.11| Show InChI	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
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132] (Homo sapiens (Human))	BDBM400491 (US10695337, Example 247 | US11285140, Example 247 ...) Show SMILES O=S(=O)(N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)c1ccccc1C#N Show InChI InChI=1S/C26H25N9O2S/c27-9-8-26(35-15-20(14-32-35)24-22-5-10-29-25(22)31-18-30-24)16-33(17-26)21-6-11-34(12-7-21)38(36,37)23-4-2-1-3-19(23)13-28/h1-5,10,14-15,18,21H,6-8,11-12,16-17H2,(H,29,30,31)	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
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132] (Homo sapiens (Human))	BDBM400497 (US10695337, Example 253 | US11285140, Example 253 ...) Show SMILES O=S(=O)(C1CCCC1)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C24H30N8O2S/c25-9-8-24(32-14-18(13-29-32)22-21-5-10-26-23(21)28-17-27-22)15-30(16-24)19-6-11-31(12-7-19)35(33,34)20-3-1-2-4-20/h5,10,13-14,17,19-20H,1-4,6-8,11-12,15-16H2,(H,26,27,28)	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
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132] (Homo sapiens (Human))	BDBM400502 (US10695337, Example 258 | US11285140, Example 258 ...) Show SMILES Cn1cnc(c1)S(=O)(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C23H26N10O2S/c1-30-12-20(28-16-30)36(34,35)32-8-3-18(4-9-32)31-13-23(14-31,5-6-24)33-11-17(10-29-33)21-19-2-7-25-22(19)27-15-26-21/h2,7,10-12,15-16,18H,3-5,8-9,13-14H2,1H3,(H,25,26,27)	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
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132] (Homo sapiens (Human))	BDBM400503 (US10695337, Example 259 | US11285140, Example 259 ...) Show SMILES Cc1nc(cn1C)S(=O)(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C24H28N10O2S/c1-17-30-21(13-31(17)2)37(35,36)33-9-4-19(5-10-33)32-14-24(15-32,6-7-25)34-12-18(11-29-34)22-20-3-8-26-23(20)28-16-27-22/h3,8,11-13,16,19H,4-6,9-10,14-15H2,1-2H3,(H,26,27,28)	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
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132] (Homo sapiens (Human))	BDBM400514 (US10695337, Example 270 | US11285140, Example 270 ...) Show SMILES Fc1ccc(F)c(C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2ccc(c2)-c2ncnc3[nH]ccc23)c1F Show InChI InChI=1S/C27H24F3N7O/c28-20-1-2-21(29)23(30)22(20)26(38)35-10-5-18(6-11-35)36-14-27(15-36,7-8-31)37-12-4-17(13-37)24-19-3-9-32-25(19)34-16-33-24/h1-4,9,12-13,16,18H,5-7,10-11,14-15H2,(H,32,33,34)	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
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132] (Homo sapiens (Human))	BDBM400517 (US10695337, Example 273 | US9999619, Example 273) Show SMILES Fc1ccc(cc1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12)C(F)(F)F Show InChI InChI=1S/C28H25F4N7O/c29-23-2-1-19(28(30,31)32)13-22(23)26(40)37-10-5-20(6-11-37)38-15-27(16-38,7-8-33)39-12-4-18(14-39)24-21-3-9-34-25(21)36-17-35-24/h1-4,9,12-14,17,20H,5-7,10-11,15-16H2,(H,34,35,36)	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
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132] (Homo sapiens (Human))	BDBM400520 (US10695337, Example 276 | US11285140, Example 276 ...) Show SMILES Fc1cccc(C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2ccc(c2)-c2ncnc3[nH]ccc23)c1F Show InChI InChI=1S/C27H25F2N7O/c28-22-3-1-2-20(23(22)29)26(37)34-11-6-19(7-12-34)35-15-27(16-35,8-9-30)36-13-5-18(14-36)24-21-4-10-31-25(21)33-17-32-24/h1-5,10,13-14,17,19H,6-8,11-12,15-16H2,(H,31,32,33)	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
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132] (Homo sapiens (Human))	BDBM400522 (US10695337, Example 278 | US11285140, Example 278 ...) Show SMILES Fc1ccc(F)c(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C27H25F2N7O/c28-19-1-2-23(29)22(13-19)26(37)34-10-5-20(6-11-34)35-15-27(16-35,7-8-30)36-12-4-18(14-36)24-21-3-9-31-25(21)33-17-32-24/h1-4,9,12-14,17,20H,5-7,10-11,15-16H2,(H,31,32,33)	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
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132] (Homo sapiens (Human))	BDBM400523 (US10695337, Example 279 | US11285140, Example 279 ...) Show SMILES Fc1cccc(F)c1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C27H25F2N7O/c28-21-2-1-3-22(29)23(21)26(37)34-11-6-19(7-12-34)35-15-27(16-35,8-9-30)36-13-5-18(14-36)24-20-4-10-31-25(20)33-17-32-24/h1-5,10,13-14,17,19H,6-8,11-12,15-16H2,(H,31,32,33)	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
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132] (Homo sapiens (Human))	BDBM400524 (US10695337, Example 280 | US11285140, Example 280 ...) Show SMILES Fc1ccc(C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2ccc(c2)-c2ncnc3[nH]ccc23)c(F)c1F Show InChI InChI=1S/C27H24F3N7O/c28-21-2-1-19(22(29)23(21)30)26(38)35-10-5-18(6-11-35)36-14-27(15-36,7-8-31)37-12-4-17(13-37)24-20-3-9-32-25(20)34-16-33-24/h1-4,9,12-13,16,18H,5-7,10-11,14-15H2,(H,32,33,34)	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
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132] (Homo sapiens (Human))	BDBM400532 (US10695337, Example 288 | US11285140, Example 288 ...) Show SMILES COc1ccccc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C28H30N8O2/c1-38-24-5-3-2-4-23(24)33-27(37)34-13-8-21(9-14-34)35-17-28(18-35,10-11-29)36-15-7-20(16-36)25-22-6-12-30-26(22)32-19-31-25/h2-7,12,15-16,19,21H,8-10,13-14,17-18H2,1H3,(H,33,37)(H,30,31,32)	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
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132] (Homo sapiens (Human))	BDBM400541 (US10695337, Example 297 | US11285140, Example 297 ...) Show SMILES Oc1ccc(C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ccnc3[nH]ccc23)c(F)c1 Show InChI InChI=1S/C27H26FN7O2/c28-24-13-20(36)1-2-23(24)26(37)33-11-5-19(6-12-33)34-16-27(17-34,7-8-29)35-15-18(14-32-35)21-3-9-30-25-22(21)4-10-31-25/h1-4,9-10,13-15,19,36H,5-7,11-12,16-17H2,(H,30,31)	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
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132] (Homo sapiens (Human))	BDBM400566 (US10695337, Example 322 | US11285140, Example 322 ...) Show SMILES Oc1ccc(cc1F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1c(F)cnc2[nH]ccc12 Show InChI InChI=1S/C27H25F2N7O2/c28-21-11-17(1-2-23(21)37)26(38)34-9-4-19(5-10-34)35-15-27(16-35,6-7-30)36-14-18(12-33-36)24-20-3-8-31-25(20)32-13-22(24)29/h1-3,8,11-14,19,37H,4-6,9-10,15-16H2,(H,31,32)	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
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132] (Homo sapiens (Human))	BDBM400579 (US11285140, Example 335 | US9999619, Example 335) Show SMILES Brc1ccc(Br)c(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1c(cnc2[nH]ccc12)C#N Show InChI InChI=1S/C28H24Br2N8O/c29-20-1-2-24(30)23(11-20)27(39)36-9-4-21(5-10-36)37-16-28(17-37,6-7-31)38-15-19(14-35-38)25-18(12-32)13-34-26-22(25)3-8-33-26/h1-3,8,11,13-15,21H,4-6,9-10,16-17H2,(H,33,34)	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
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132] (Homo sapiens (Human))	BDBM400580 (US11285140, Example 336 | US9999619, Example 336) Show SMILES Brc1cc(Br)cc(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1c(cnc2[nH]ccc12)C#N Show InChI InChI=1S/C28H24Br2N8O/c29-21-9-18(10-22(30)11-21)27(39)36-7-2-23(3-8-36)37-16-28(17-37,4-5-31)38-15-20(14-35-38)25-19(12-32)13-34-26-24(25)1-6-33-26/h1,6,9-11,13-15,23H,2-4,7-8,16-17H2,(H,33,34)	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
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132] (Homo sapiens (Human))	BDBM400599 (US10695337, Example 355 | US11285140, Example 355 ...) Show SMILES CS(=O)(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1c(F)cnc2[nH]ccc12 Show InChI InChI=1S/C21H24FN7O2S/c1-32(30,31)28-8-3-16(4-9-28)27-13-21(14-27,5-6-23)29-12-15(10-26-29)19-17-2-7-24-20(17)25-11-18(19)22/h2,7,10-12,16H,3-5,8-9,13-14H2,1H3,(H,24,25)	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
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132] (Homo sapiens (Human))	BDBM400285 (US10695337, Example 39 | US11285140, Example 39 | ...) Show SMILES COc1cccc(F)c1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C27H27FN8O2/c1-38-22-4-2-3-21(28)23(22)26(37)34-11-6-19(7-12-34)35-15-27(16-35,8-9-29)36-14-18(13-33-36)24-20-5-10-30-25(20)32-17-31-24/h2-5,10,13-14,17,19H,6-8,11-12,15-16H2,1H3,(H,30,31,32)	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
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132] (Homo sapiens (Human))	BDBM400294 (US10695337, Example 48 | US11285140, Example 48 | ...) Show SMILES Fc1cc(F)c(cc1F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C26H23F3N8O/c27-20-10-22(29)21(28)9-19(20)25(38)35-7-2-17(3-8-35)36-13-26(14-36,4-5-30)37-12-16(11-34-37)23-18-1-6-31-24(18)33-15-32-23/h1,6,9-12,15,17H,2-4,7-8,13-14H2,(H,31,32,33)	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
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132] (Homo sapiens (Human))	BDBM400321 (US10695337, Example 75 | US11285140, Example 75 | ...) Show SMILES Brc1sccc1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C24H23BrN8OS/c25-21-19(4-10-35-21)23(34)31-8-2-17(3-9-31)32-13-24(14-32,5-6-26)33-12-16(11-30-33)20-18-1-7-27-22(18)29-15-28-20/h1,4,7,10-12,15,17H,2-3,5,8-9,13-14H2,(H,27,28,29)	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
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132] (Homo sapiens (Human))	BDBM400326 (US10695337, Example 80 | US11285140, Example 80 | ...) Show SMILES Cc1ccc(s1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C25H26N8OS/c1-17-2-3-21(35-17)24(34)31-10-5-19(6-11-31)32-14-25(15-32,7-8-26)33-13-18(12-30-33)22-20-4-9-27-23(20)29-16-28-22/h2-4,9,12-13,16,19H,5-7,10-11,14-15H2,1H3,(H,27,28,29)	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
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132] (Homo sapiens (Human))	BDBM400393 (US10695337, Example 147 | US11285140, Example 147 ...) Show SMILES O=C(C1CCCCC1)N1C2CCC1CC(C2)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 |THB:16:14:8:10.11| Show InChI	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
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132] (Homo sapiens (Human))	BDBM400495 (US10695337, Example 251 | US11285140, Example 251 ...) Show SMILES Cn1ccc(n1)S(=O)(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C23H26N10O2S/c1-30-9-5-20(29-30)36(34,35)32-10-3-18(4-11-32)31-14-23(15-31,6-7-24)33-13-17(12-28-33)21-19-2-8-25-22(19)27-16-26-21/h2,5,8-9,12-13,16,18H,3-4,6,10-11,14-15H2,1H3,(H,25,26,27)	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
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132] (Homo sapiens (Human))	BDBM400567 (US10695337, Example 323 | US11285140, Example 323 ...) Show SMILES Oc1ccc(C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2c(F)cnc3[nH]ccc23)c(F)c1 Show InChI InChI=1S/C27H25F2N7O2/c28-22-11-19(37)1-2-20(22)26(38)34-9-4-18(5-10-34)35-15-27(16-35,6-7-30)36-14-17(12-33-36)24-21-3-8-31-25(21)32-13-23(24)29/h1-3,8,11-14,18,37H,4-6,9-10,15-16H2,(H,31,32)	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
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132] (Homo sapiens (Human))	BDBM400251 (US10695337, Example 6 | US11285140, Example 6 | US...) Show SMILES Oc1ccc(cc1F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C26H25FN8O2/c27-21-11-17(1-2-22(21)36)25(37)33-9-4-19(5-10-33)34-14-26(15-34,6-7-28)35-13-18(12-32-35)23-20-3-8-29-24(20)31-16-30-23/h1-3,8,11-13,16,19,36H,4-6,9-10,14-15H2,(H,29,30,31)	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
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132] (Homo sapiens (Human))	BDBM400263 (US10695337, Example 18 | US11285140, Example 18 | ...) Show SMILES Fc1cc(cc(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C#N Show InChI InChI=1S/C27H24FN9O/c28-21-10-18(12-30)9-19(11-21)26(38)35-7-2-22(3-8-35)36-15-27(16-36,4-5-29)37-14-20(13-34-37)24-23-1-6-31-25(23)33-17-32-24/h1,6,9-11,13-14,17,22H,2-4,7-8,15-16H2,(H,31,32,33)	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
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132] (Homo sapiens (Human))	BDBM400264 (US10695337, Example 19 | US11285140, Example 19 | ...) Show SMILES Clc1cccc(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C26H25ClN8O/c27-20-3-1-2-18(12-20)25(36)33-10-5-21(6-11-33)34-15-26(16-34,7-8-28)35-14-19(13-32-35)23-22-4-9-29-24(22)31-17-30-23/h1-4,9,12-14,17,21H,5-7,10-11,15-16H2,(H,29,30,31)	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
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132] (Homo sapiens (Human))	BDBM400268 (US10695337, Example 23 | US11285140, Example 23 | ...) Show SMILES Fc1cc(cc(c1)C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C27H24F4N8O/c28-20-10-17(9-19(11-20)27(29,30)31)25(40)37-7-2-21(3-8-37)38-14-26(15-38,4-5-32)39-13-18(12-36-39)23-22-1-6-33-24(22)35-16-34-23/h1,6,9-13,16,21H,2-4,7-8,14-15H2,(H,33,34,35)	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
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132] (Homo sapiens (Human))	BDBM400270 (US10695337, Example 25 | US11285140, Example 25 | ...) Show SMILES Fc1cccc(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C26H25FN8O/c27-20-3-1-2-18(12-20)25(36)33-10-5-21(6-11-33)34-15-26(16-34,7-8-28)35-14-19(13-32-35)23-22-4-9-29-24(22)31-17-30-23/h1-4,9,12-14,17,21H,5-7,10-11,15-16H2,(H,29,30,31)	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
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132] (Homo sapiens (Human))	BDBM400272 (US10695337, Example 27 | US11285140, Example 27 | ...) Show SMILES COc1ccc(F)c(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C27H27FN8O2/c1-38-20-2-3-23(28)22(12-20)26(37)34-10-5-19(6-11-34)35-15-27(16-35,7-8-29)36-14-18(13-33-36)24-21-4-9-30-25(21)32-17-31-24/h2-4,9,12-14,17,19H,5-7,10-11,15-16H2,1H3,(H,30,31,32)	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
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132] (Homo sapiens (Human))	BDBM400273 (US10695337, Example 28 | US11285140, Example 28 | ...) Show SMILES Fc1cc(Cl)cc(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C26H24ClFN8O/c27-19-9-17(10-20(28)11-19)25(37)34-7-2-21(3-8-34)35-14-26(15-35,4-5-29)36-13-18(12-33-36)23-22-1-6-30-24(22)32-16-31-23/h1,6,9-13,16,21H,2-4,7-8,14-15H2,(H,30,31,32)	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
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132] (Homo sapiens (Human))	BDBM400274 (US10695337, Example 29 | US11285140, Example 29 | ...) Show SMILES Fc1cc(Br)cc(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C26H24BrFN8O/c27-19-9-17(10-20(28)11-19)25(37)34-7-2-21(3-8-34)35-14-26(15-35,4-5-29)36-13-18(12-33-36)23-22-1-6-30-24(22)32-16-31-23/h1,6,9-13,16,21H,2-4,7-8,14-15H2,(H,30,31,32)	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
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132] (Homo sapiens (Human))	BDBM400275 (US10695337, Example 30 | US11285140, Example 30 | ...) Show SMILES Clc1cc(C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(Cl)s1 Show InChI InChI=1S/C24H22Cl2N8OS/c25-19-9-18(21(26)36-19)23(35)32-7-2-16(3-8-32)33-12-24(13-33,4-5-27)34-11-15(10-31-34)20-17-1-6-28-22(17)30-14-29-20/h1,6,9-11,14,16H,2-4,7-8,12-13H2,(H,28,29,30)	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
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132] (Homo sapiens (Human))	BDBM400277 (US10695337, Example 32 | US11285140, Example 32 | ...) Show SMILES COc1c(F)c(F)cc(C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c1F Show InChI InChI=1S/C27H25F3N8O2/c1-40-24-21(29)19(10-20(28)22(24)30)26(39)36-8-3-17(4-9-36)37-13-27(14-37,5-6-31)38-12-16(11-35-38)23-18-2-7-32-25(18)34-15-33-23/h2,7,10-12,15,17H,3-5,8-9,13-14H2,1H3,(H,32,33,34)	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
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132] (Homo sapiens (Human))	BDBM400280 (US10695337, Example 35 | US11285140, Example 35 | ...) Show SMILES Fc1ccc(cc1F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C26H24F2N8O/c27-21-2-1-17(11-22(21)28)25(37)34-9-4-19(5-10-34)35-14-26(15-35,6-7-29)36-13-18(12-33-36)23-20-3-8-30-24(20)32-16-31-23/h1-3,8,11-13,16,19H,4-6,9-10,14-15H2,(H,30,31,32)	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
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132] (Homo sapiens (Human))	BDBM400281 (US10695337, Example 36 | US11285140, Example 36 | ...) Show SMILES COc1cc(F)cc(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C27H27FN8O2/c1-38-22-11-18(10-20(28)12-22)26(37)34-8-3-21(4-9-34)35-15-27(16-35,5-6-29)36-14-19(13-33-36)24-23-2-7-30-25(23)32-17-31-24/h2,7,10-14,17,21H,3-5,8-9,15-16H2,1H3,(H,30,31,32)	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
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132] (Homo sapiens (Human))	BDBM400282 (US10695337, Example 37 | US11285140, Example 37 | ...) Show SMILES COc1cc(cc(Cl)n1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C26H26ClN9O2/c1-38-22-11-17(10-21(27)33-22)25(37)34-8-3-19(4-9-34)35-14-26(15-35,5-6-28)36-13-18(12-32-36)23-20-2-7-29-24(20)31-16-30-23/h2,7,10-13,16,19H,3-5,8-9,14-15H2,1H3,(H,29,30,31)	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
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132] (Homo sapiens (Human))	BDBM400283 (US10695337, Example 38 | US11285140, Example 38 | ...) Show SMILES COc1ccc(F)cc1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C27H27FN8O2/c1-38-23-3-2-19(28)12-22(23)26(37)34-10-5-20(6-11-34)35-15-27(16-35,7-8-29)36-14-18(13-33-36)24-21-4-9-30-25(21)32-17-31-24/h2-4,9,12-14,17,20H,5-7,10-11,15-16H2,1H3,(H,30,31,32)	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
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132] (Homo sapiens (Human))	BDBM400286 (US10695337, Example 40 | US11285140, Example 40 | ...) Show SMILES COc1cc(F)ccc1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C27H27FN8O2/c1-38-23-12-19(28)2-3-21(23)26(37)34-10-5-20(6-11-34)35-15-27(16-35,7-8-29)36-14-18(13-33-36)24-22-4-9-30-25(22)32-17-31-24/h2-4,9,12-14,17,20H,5-7,10-11,15-16H2,1H3,(H,30,31,32)	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
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132] (Homo sapiens (Human))	BDBM400287 (US10695337, Example 41 | US11285140, Example 41 | ...) Show SMILES Fc1cccc(C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c1F Show InChI InChI=1S/C26H24F2N8O/c27-21-3-1-2-19(22(21)28)25(37)34-10-5-18(6-11-34)35-14-26(15-35,7-8-29)36-13-17(12-33-36)23-20-4-9-30-24(20)32-16-31-23/h1-4,9,12-13,16,18H,5-7,10-11,14-15H2,(H,30,31,32)	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
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair

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