Compile Data Set for Download or QSAR

Found 794 hits Enz. Inhib. hit(s) with all data for entry = 10521   

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 [837-1142] (Homo sapiens (Human))	BDBM400422 (US10695337, Example 177 | US11285140, Example 177 ...) Show SMILES Fc1c(Cl)cccc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C26H25ClFN9O/c27-20-2-1-3-21(22(20)28)34-25(38)35-10-5-18(6-11-35)36-14-26(15-36,7-8-29)37-13-17(12-33-37)23-19-4-9-30-24(19)32-16-31-23/h1-4,9,12-13,16,18H,5-7,10-11,14-15H2,(H,34,38)(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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0CJQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (Homo sapiens (Human))	BDBM400423 (US10695337, Example 178 | US11285140, Example 178 ...) Show SMILES Fc1cc(Cl)ccc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C26H25ClFN9O/c27-18-1-2-22(21(28)11-18)34-25(38)35-9-4-19(5-10-35)36-14-26(15-36,6-7-29)37-13-17(12-33-37)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,34,38)(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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0CJQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (Homo sapiens (Human))	BDBM400425 (US10695337, Example 180 | US11285140, Example 180 ...) Show SMILES COc1ccccc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C27H29N9O2/c1-38-23-5-3-2-4-22(23)33-26(37)34-12-7-20(8-13-34)35-16-27(17-35,9-10-28)36-15-19(14-32-36)24-21-6-11-29-25(21)31-18-30-24/h2-6,11,14-15,18,20H,7-9,12-13,16-17H2,1H3,(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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0CJQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (Homo sapiens (Human))	BDBM400426 (US10695337, Example 181 | US11285140, Example 181 ...) Show SMILES COc1cccc(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c1 Show InChI InChI=1S/C27H29N9O2/c1-38-22-4-2-3-20(13-22)33-26(37)34-11-6-21(7-12-34)35-16-27(17-35,8-9-28)36-15-19(14-32-36)24-23-5-10-29-25(23)31-18-30-24/h2-5,10,13-15,18,21H,6-8,11-12,16-17H2,1H3,(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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0CJQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (Homo sapiens (Human))	BDBM400428 (US10695337, Example 183 | US11285140, Example 183 ...) Show SMILES Clc1cccc(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c1 Show InChI InChI=1S/C26H26ClN9O/c27-19-2-1-3-20(12-19)33-25(37)34-10-5-21(6-11-34)35-15-26(16-35,7-8-28)36-14-18(13-32-36)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,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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0CJQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0CJQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (Homo sapiens (Human))	BDBM400430 (US11285140, Example 185 | US9999619, Example 185) Show SMILES Cc1ccccc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C27H29N9O/c1-19-4-2-3-5-23(19)33-26(37)34-12-7-21(8-13-34)35-16-27(17-35,9-10-28)36-15-20(14-32-36)24-22-6-11-29-25(22)31-18-30-24/h2-6,11,14-15,18,21H,7-9,12-13,16-17H2,1H3,(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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0CJQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (Homo sapiens (Human))	BDBM400431 (US10695337, Example 186 | US11285140, Example 186 ...) Show SMILES COc1ccc(OC)c(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c1 Show InChI InChI=1S/C28H31N9O3/c1-39-21-3-4-24(40-2)23(13-21)34-27(38)35-11-6-20(7-12-35)36-16-28(17-36,8-9-29)37-15-19(14-33-37)25-22-5-10-30-26(22)32-18-31-25/h3-5,10,13-15,18,20H,6-8,11-12,16-17H2,1-2H3,(H,34,38)(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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0CJQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (Homo sapiens (Human))	BDBM400432 (US10695337, Example 187 | US11285140, Example 187 ...) Show SMILES Cc1cc(F)ccc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C27H28FN9O/c1-18-12-20(28)2-3-23(18)34-26(38)35-10-5-21(6-11-35)36-15-27(16-36,7-8-29)37-14-19(13-33-37)24-22-4-9-30-25(22)32-17-31-24/h2-4,9,12-14,17,21H,5-7,10-11,15-16H2,1H3,(H,34,38)(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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0CJQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0CJQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0CJQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (Homo sapiens (Human))	BDBM400443 (US10695337, Example 198 | US11285140, Example 198 ...) Show SMILES Cc1ncccc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C26H28N10O/c1-18-22(3-2-9-28-18)33-25(37)34-11-5-20(6-12-34)35-15-26(16-35,7-8-27)36-14-19(13-32-36)23-21-4-10-29-24(21)31-17-30-23/h2-4,9-10,13-14,17,20H,5-7,11-12,15-16H2,1H3,(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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0CJQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (Homo sapiens (Human))	BDBM400444 (US10695337, Example 199 | US11285140, Example 199 ...) Show SMILES Cc1nc(F)ccc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C26H27FN10O/c1-17-21(2-3-22(27)33-17)34-25(38)35-10-5-19(6-11-35)36-14-26(15-36,7-8-28)37-13-18(12-32-37)23-20-4-9-29-24(20)31-16-30-23/h2-4,9,12-13,16,19H,5-7,10-11,14-15H2,1H3,(H,34,38)(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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0CJQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (Homo sapiens (Human))	BDBM400445 (US10695337, Example 200 | US11285140, Example 200 ...) Show SMILES Cc1ccc(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(F)n1 Show InChI InChI=1S/C26H27FN10O/c1-17-2-3-21(23(27)33-17)34-25(38)35-10-5-19(6-11-35)36-14-26(15-36,7-8-28)37-13-18(12-32-37)22-20-4-9-29-24(20)31-16-30-22/h2-4,9,12-13,16,19H,5-7,10-11,14-15H2,1H3,(H,34,38)(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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0CJQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (Homo sapiens (Human))	BDBM400447 (US10695337, Example 202 | US11285140, Example 202 ...) Show SMILES Fc1cccnc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C25H25FN10O/c26-20-2-1-8-28-23(20)33-24(37)34-10-4-18(5-11-34)35-14-25(15-35,6-7-27)36-13-17(12-32-36)21-19-3-9-29-22(19)31-16-30-21/h1-3,8-9,12-13,16,18H,4-6,10-11,14-15H2,(H,28,33,37)(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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0CJQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (Homo sapiens (Human))	BDBM400449 (US10695337, Example 204 | US11285140, Example 204 ...) Show SMILES COc1ncccc1NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C26H28N10O2/c1-38-24-21(3-2-9-29-24)33-25(37)34-11-5-19(6-12-34)35-15-26(16-35,7-8-27)36-14-18(13-32-36)22-20-4-10-28-23(20)31-17-30-22/h2-4,9-10,13-14,17,19H,5-7,11-12,15-16H2,1H3,(H,33,37)(H,28,30,31)	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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0CJQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0CJQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0CJQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (Homo sapiens (Human))	BDBM400453 (US10695337, Example 208 | US11285140, Example 208 ...) Show SMILES COC(=O)c1ccc(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(F)c1 Show InChI InChI=1S/C28H28FN9O3/c1-41-26(39)18-2-3-23(22(29)12-18)35-27(40)36-10-5-20(6-11-36)37-15-28(16-37,7-8-30)38-14-19(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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0CJQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (Homo sapiens (Human))	BDBM400454 (3-[(4-{3-(Cyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyri...) Show SMILES CN(C)c1ccc(CN2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(F)c1C#N Show InChI InChI=1S/C29H31FN10/c1-37(2)25-4-3-20(26(30)24(25)13-32)15-38-11-6-22(7-12-38)39-17-29(18-39,8-9-31)40-16-21(14-36-40)27-23-5-10-33-28(23)35-19-34-27/h3-5,10,14,16,19,22H,6-8,11-12,15,17-18H2,1-2H3,(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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0CJQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0CJQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (Homo sapiens (Human))	BDBM400458 (US10695337, Example 213 | US11285140, Example 213 ...) Show SMILES Fc1cccc(c1CN1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C(F)(F)F Show InChI InChI=1S/C27H26F4N8/c28-23-3-1-2-22(27(29,30)31)21(23)14-37-10-5-19(6-11-37)38-15-26(16-38,7-8-32)39-13-18(12-36-39)24-20-4-9-33-25(20)35-17-34-24/h1-4,9,12-13,17,19H,5-7,10-11,14-16H2,(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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0CJQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (Homo sapiens (Human))	BDBM400460 (US10695337, Example 215 | US11285140, Example 215 ...) Show SMILES Fc1cc(F)cc(CN2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c1 Show InChI InChI=1S/C26H26F2N8/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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0CJQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (Homo sapiens (Human))	BDBM400470 (US10695337, Example 225 | US11285140, Example 225 ...) Show SMILES Brc1cc(CN2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)cc(Br)n1 Show InChI InChI=1S/C25H25Br2N9/c26-21-9-17(10-22(27)33-21)12-34-7-2-19(3-8-34)35-14-25(15-35,4-5-28)36-13-18(11-32-36)23-20-1-6-29-24(20)31-16-30-23/h1,6,9-11,13,16,19H,2-4,7-8,12,14-15H2,(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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0CJQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0CJQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0CJQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (Homo sapiens (Human))	BDBM400479 (US10695337, Example 234 | US11285140, Example 234 ...) Show SMILES N#CCC1(CN(C1)C1CCN(Cc2ccc3OCCOc3c2)CC1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C28H30N8O2/c29-7-6-28(36-16-21(14-33-36)26-23-3-8-30-27(23)32-19-31-26)17-35(18-28)22-4-9-34(10-5-22)15-20-1-2-24-25(13-20)38-12-11-37-24/h1-3,8,13-14,16,19,22H,4-6,9-12,15,17-18H2,(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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0CJQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0CJQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (Homo sapiens (Human))	BDBM400483 (US10695337, Example 238 | US11285140, Example 238 ...) Show SMILES COc1ccc2nc(Cl)c(CN3CCC(CC3)N3CC(CC#N)(C3)n3cc(cn3)-c3ncnc4[nH]ccc34)cc2c1 Show InChI InChI=1S/C30H30ClN9O/c1-41-24-2-3-26-20(13-24)12-21(28(31)37-26)15-38-10-5-23(6-11-38)39-17-30(18-39,7-8-32)40-16-22(14-36-40)27-25-4-9-33-29(25)35-19-34-27/h2-4,9,12-14,16,19,23H,5-7,10-11,15,17-18H2,1H3,(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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0CJQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (Homo sapiens (Human))	BDBM400485 (3-[(3-{3-(Cyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyri...) Show SMILES CN(C)c1ccc(CN2C3CCC2CC(C3)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(F)c1C#N |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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0CJQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0CJQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (Homo sapiens (Human))	BDBM400487 (Diastereomers of 3-[(4-{3-(cyanomethyl)-3-[4-(7H-p...) Show SMILES C[C@@H]1CC(CCN1Cc1ccc(N(C)C)c(C#N)c1F)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r| 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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0CJQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (Homo sapiens (Human))	BDBM400490 (US10695337, Example 246 | US11285140, Example 246 ...) Show SMILES Cn1nccc1S(=O)(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C23H26N10O2S/c1-30-20(3-9-28-30)36(34,35)32-10-4-18(5-11-32)31-14-23(15-31,6-7-24)33-13-17(12-29-33)21-19-2-8-25-22(19)27-16-26-21/h2-3,8-9,12-13,16,18H,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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0CJQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0CJQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (Homo sapiens (Human))	BDBM400494 (US10695337, Example 250 | US11285140, Example 250 ...) Show SMILES CN(C)c1ccc(cc1C#N)S(=O)(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C28H30N10O2S/c1-35(2)25-4-3-23(13-20(25)14-30)41(39,40)37-11-6-22(7-12-37)36-17-28(18-36,8-9-29)38-16-21(15-34-38)26-24-5-10-31-27(24)33-19-32-26/h3-5,10,13,15-16,19,22H,6-8,11-12,17-18H2,1-2H3,(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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0CJQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0CJQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0CJQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (Homo sapiens (Human))	BDBM400498 (US11285140, Example 254 | US9999619, Example 254 |...) Show SMILES CS(=O)(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C20H24N8O2S/c1-31(29,30)27-8-3-16(4-9-27)26-12-20(13-26,5-6-21)28-11-15(10-25-28)18-17-2-7-22-19(17)24-14-23-18/h2,7,10-11,14,16H,3-5,8-9,12-13H2,1H3,(H,22,23,24)	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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0CJQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (Homo sapiens (Human))	BDBM400500 (US10695337, Example 256 | US11285140, Example 256 ...) Show SMILES O=S(=O)(C1CC1)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C22H26N8O2S/c23-7-6-22(30-12-16(11-27-30)20-19-3-8-24-21(19)26-15-25-20)13-28(14-22)17-4-9-29(10-5-17)33(31,32)18-1-2-18/h3,8,11-12,15,17-18H,1-2,4-6,9-10,13-14H2,(H,24,25,26)	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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0CJQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0CJQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0CJQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (Homo sapiens (Human))	BDBM400504 (US10695337, Example 260 | US11285140, Example 260 ...) Show SMILES Cc1noc(C)c1S(=O)(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C24H27N9O3S/c1-16-22(17(2)36-30-16)37(34,35)32-9-4-19(5-10-32)31-13-24(14-31,6-7-25)33-12-18(11-29-33)21-20-3-8-26-23(20)28-15-27-21/h3,8,11-12,15,19H,4-6,9-10,13-14H2,1-2H3,(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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0CJQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (Homo sapiens (Human))	BDBM400507 (US10695337, Example 263 | US11285140, Example 263 ...) Show SMILES Fc1cc(cc(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12)C#N Show InChI InChI=1S/C28H25FN8O/c29-22-12-19(14-31)11-21(13-22)27(38)35-8-3-23(4-9-35)36-16-28(17-36,5-6-30)37-10-2-20(15-37)25-24-1-7-32-26(24)34-18-33-25/h1-2,7,10-13,15,18,23H,3-5,8-9,16-17H2,(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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0CJQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (Homo sapiens (Human))	BDBM400513 (US11285140, Example 269 | US9999619, Example 269) Show SMILES Fc1ccc(OC(F)(F)F)cc1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C28H25F4N7O2/c29-23-2-1-20(41-28(30,31)32)13-22(23)26(40)37-10-5-19(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/h1-4,9,12-14,17,19H,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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0CJQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0CJQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (Homo sapiens (Human))	BDBM400515 (US10695337, Example 271 | US11285140, Example 271 ...) Show SMILES O=C(N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12)c1cccs1 Show InChI InChI=1S/C25H25N7OS/c26-8-7-25(32-12-4-18(14-32)22-20-3-9-27-23(20)29-17-28-22)15-31(16-25)19-5-10-30(11-6-19)24(33)21-2-1-13-34-21/h1-4,9,12-14,17,19H,5-7,10-11,15-16H2,(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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0CJQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (Homo sapiens (Human))	BDBM544275 (US11285140, Example 273) Show SMILES Fc1ccc(cc1CN1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12)C(F)(F)F 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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0CJQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (Homo sapiens (Human))	BDBM400518 (US10695337, Example 274 | US11285140, Example 274 ...) Show SMILES Fc1cc(cc(c1)C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C28H25F4N7O/c29-21-12-19(11-20(13-21)28(30,31)32)26(40)37-8-3-22(4-9-37)38-15-27(16-38,5-6-33)39-10-2-18(14-39)24-23-1-7-34-25(23)36-17-35-24/h1-2,7,10-14,17,22H,3-5,8-9,15-16H2,(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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0CJQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0CJQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (Homo sapiens (Human))	BDBM400521 (US10695337, Example 277 | US11285140, Example 277 ...) Show SMILES Fc1ccc(cc1F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C27H25F2N7O/c28-22-2-1-18(13-23(22)29)26(37)34-10-5-20(6-11-34)35-15-27(16-35,7-8-30)36-12-4-19(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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DZ0CJQ
					More data for this Ligand-Target Pair

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