Compile Data Set for Download or QSAR

Found 1581 hits of ic50 for UniProtKB: P23458   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM197716 (US9216984, 1) Show SMILES CCCCCC(CC#N)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.340	n/a	n/a	n/a	n/a	7.8	25
Incyte Corporation; Incyte Holdings Corporation US Patent					Assay Description The compounds of the invention were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al.,...				US Patent US9216984 (2015) BindingDB Entry DOI: 10.7270/Q26M35PV
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (Homo sapiens (Human))	BDBM197717 (US9216984, 2) Show SMILES CCCCC(CC#N)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.570	n/a	n/a	n/a	n/a	7.8	25
Incyte Corporation; Incyte Holdings Corporation US Patent					Assay Description The compounds of the invention were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al.,...				US Patent US9216984 (2015) BindingDB Entry DOI: 10.7270/Q26M35PV
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (Homo sapiens (Human))	BDBM197716 (US9216984, 1) Show SMILES CCCCCC(CC#N)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.630	n/a	n/a	n/a	n/a	7.8	25
Incyte Corporation; Incyte Holdings Corporation US Patent					Assay Description The compounds of the invention were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al.,...				US Patent US9216984 (2015) BindingDB Entry DOI: 10.7270/Q26M35PV
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (Homo sapiens (Human))	BDBM197717 (US9216984, 2) Show SMILES CCCCC(CC#N)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	7.8	25
Incyte Corporation; Incyte Holdings Corporation US Patent					Assay Description The compounds of the invention were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al.,...				US Patent US9216984 (2015) BindingDB Entry DOI: 10.7270/Q26M35PV
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (Homo sapiens (Human))	BDBM197717 (US9216984, 2) Show SMILES CCCCC(CC#N)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI	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	7.8	25
Incyte Corporation; Incyte Holdings Corporation US Patent					Assay Description The compounds of the invention were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al.,...				US Patent US9216984 (2015) BindingDB Entry DOI: 10.7270/Q26M35PV
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (Homo sapiens (Human))	BDBM197716 (US9216984, 1) Show SMILES CCCCCC(CC#N)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.90	n/a	n/a	n/a	n/a	7.8	25
Incyte Corporation; Incyte Holdings Corporation US Patent					Assay Description The compounds of the invention were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al.,...				US Patent US9216984 (2015) BindingDB Entry DOI: 10.7270/Q26M35PV
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (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
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))	BDBM400586 (US10695337, Example 342 | US11285140, Example 342 ...) Show SMILES FC(F)(F)c1cc(C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(Cl)cn1 Show InChI InChI=1S/C26H23ClF3N9O/c27-20-11-33-21(26(28,29)30)9-19(20)24(40)37-7-2-17(3-8-37)38-13-25(14-38,4-5-31)39-12-16(10-36-39)22-18-1-6-32-23(18)35-15-34-22/h1,6,9-12,15,17H,2-4,7-8,13-14H2,(H,32,34,35)	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))	BDBM400588 (US10695337, Example 344 | US11285140, Example 344 ...) Show SMILES FC(F)(F)c1csc(n1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C24H22F3N9OS/c25-24(26,27)18-11-38-21(33-18)22(37)34-7-2-16(3-8-34)35-12-23(13-35,4-5-28)36-10-15(9-32-36)19-17-1-6-29-20(17)31-14-30-19/h1,6,9-11,14,16H,2-4,7-8,12-13H2,(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))	BDBM400590 (US10695337, Example 346 | US11285140, Example 346 ...) Show SMILES FC(F)(F)c1csc(n1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C25H23F3N8OS/c26-25(27,28)19-12-38-22(33-19)23(37)34-8-3-17(4-9-34)35-13-24(14-35,5-6-29)36-10-2-16(11-36)20-18-1-7-30-21(18)32-15-31-20/h1-2,7,10-12,15,17H,3-5,8-9,13-14H2,(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))	BDBM400592 (US10695337, Example 348 | US11285140, Example 348 ...) Show SMILES CS(=O)(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C21H25N7O2S/c1-31(29,30)28-10-4-17(5-11-28)26-13-21(14-26,6-7-22)27-9-3-16(12-27)19-18-2-8-23-20(18)25-15-24-19/h2-3,8-9,12,15,17H,4-6,10-11,13-14H2,1H3,(H,23,24,25)	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
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))	BDBM400595 (US10695337, Example 351 | US11285140, Example 351 ...) Show SMILES CS(=O)(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C21H25N7O2S/c1-31(29,30)27-10-4-17(5-11-27)26-14-21(15-26,6-7-22)28-13-16(12-25-28)18-2-8-23-20-19(18)3-9-24-20/h2-3,8-9,12-13,17H,4-6,10-11,14-15H2,1H3,(H,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))	BDBM400596 (US10695337, Example 352 | US11285140, Example 352 ...) Show SMILES Fc1cnc2[nH]ccc2c1-c1cnn(c1)C1(CC#N)CN(C1)C1CCN(CC1)C(=O)c1cncc(n1)C(F)(F)F Show InChI InChI=1S/C26H23F4N9O/c27-19-10-34-23-18(1-6-33-23)22(19)16-9-35-39(13-16)25(4-5-31)14-38(15-25)17-2-7-37(8-3-17)24(40)20-11-32-12-21(36-20)26(28,29)30/h1,6,9-13,17H,2-4,7-8,14-15H2,(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
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))	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
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))	BDBM400601 (4-(1-{3-(Cyanomethyl)-1-[1-(methylsulfonyl)piperid...) Show SMILES CS(=O)(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1c(cnc2[nH]ccc12)C#N Show InChI InChI=1S/C22H24N8O2S/c1-33(31,32)29-8-3-18(4-9-29)28-14-22(15-28,5-6-23)30-13-17(12-27-30)20-16(10-24)11-26-21-19(20)2-7-25-21/h2,7,11-13,18H,3-5,8-9,14-15H2,1H3,(H,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))	BDBM246868 (US10053465, 7 | US10065963, Compound 7 | US1012515...) Show SMILES Fc1c(ccnc1C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C26H23F4N9O/c27-20-18(1-7-32-22(20)26(28,29)30)24(40)37-9-3-17(4-10-37)38-13-25(14-38,5-6-31)39-12-16(11-36-39)21-19-2-8-33-23(19)35-15-34-21/h1-2,7-8,11-12,15,17H,3-5,9-10,13-14H2,(H,33,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB 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))	BDBM400603 (US10695337, Example 360 | US11285140, Example 360 ...) Show SMILES CO[C@@H]1CN(CC[C@@H]1N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C(=O)c1ccnc(n1)C(F)(F)F |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))	BDBM400603 (US10695337, Example 360 | US11285140, Example 360 ...) Show SMILES CO[C@@H]1CN(CC[C@@H]1N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C(=O)c1ccnc(n1)C(F)(F)F |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))	BDBM400605 (US10695337, Example 361 | US11285140, Example 361 ...) Show SMILES F[C@H]1CN(CC[C@H]1N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C(=O)c1ccnc(c1F)C(F)(F)F |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))	BDBM400606 (US10695337, Example 362 | US11285140, Example 362 ...) Show SMILES F[C@H]1CN(CC[C@H]1N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C(=O)c1ccnc(n1)C(F)(F)F |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))	BDBM246868 (US10053465, 7 | US10065963, Compound 7 | US1012515...) Show SMILES Fc1c(ccnc1C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C26H23F4N9O/c27-20-18(1-7-32-22(20)26(28,29)30)24(40)37-9-3-17(4-10-37)38-13-25(14-38,5-6-31)39-12-16(11-36-39)21-19-2-8-33-23(19)35-15-34-21/h1-2,7-8,11-12,15,17H,3-5,9-10,13-14H2,(H,33,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB 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))	BDBM246868 (US10053465, 7 | US10065963, Compound 7 | US1012515...) Show SMILES Fc1c(ccnc1C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C26H23F4N9O/c27-20-18(1-7-32-22(20)26(28,29)30)24(40)37-9-3-17(4-10-37)38-13-25(14-38,5-6-31)39-12-16(11-36-39)21-19-2-8-33-23(19)35-15-34-21/h1-2,7-8,11-12,15,17H,3-5,9-10,13-14H2,(H,33,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB 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))	BDBM400609 (US10695337, Example 365 | US11285140, Example 365 ...) Show SMILES Fc1c(ccnc1C(F)(F)F)C(=O)N1CC2COCC(C1)C2N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 |TLB:22:21:20.13.14:16.17.18| 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))	BDBM400610 (US10695337, Example 366 | US11285140, Example 366 ...) Show SMILES CN(C)Cc1cc(nc(c1)C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C29H31F3N10O/c1-39(2)14-19-11-23(38-24(12-19)29(30,31)32)27(43)40-9-4-21(5-10-40)41-16-28(17-41,6-7-33)42-15-20(13-37-42)25-22-3-8-34-26(22)36-18-35-25/h3,8,11-13,15,18,21H,4-6,9-10,14,16-17H2,1-2H3,(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))	BDBM400611 (4-{3-(cyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidi...) Show SMILES CC(C)NC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C23H29N9O/c1-16(2)29-22(33)30-9-4-18(5-10-30)31-13-23(14-31,6-7-24)32-12-17(11-28-32)20-19-3-8-25-21(19)27-15-26-20/h3,8,11-12,15-16,18H,4-6,9-10,13-14H2,1-2H3,(H,29,33)(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))	BDBM400612 (US10695337, Example 368 | US11285140, Example 368 ...) Show SMILES CN(C)Cc1cc(C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(F)c(n1)C(F)(F)F Show InChI InChI=1S/C29H30F4N10O/c1-40(2)14-19-11-22(23(30)25(39-19)29(31,32)33)27(44)41-9-4-20(5-10-41)42-15-28(16-42,6-7-34)43-13-18(12-38-43)24-21-3-8-35-26(21)37-17-36-24/h3,8,11-13,17,20H,4-6,9-10,14-16H2,1-2H3,(H,35,36,37)	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))	BDBM400613 (3-[(4-{3-(cyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]pyri...) Show SMILES CN(C)Cc1cc(cc(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C#N Show InChI InChI=1S/C30H32N10O/c1-37(2)16-22-11-21(14-32)12-23(13-22)29(41)38-9-4-25(5-10-38)39-18-30(19-39,6-7-31)40-17-24(15-36-40)27-26-3-8-33-28(26)35-20-34-27/h3,8,11-13,15,17,20,25H,4-6,9-10,16,18-19H2,1-2H3,(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))	BDBM400614 (US10695337, Example 370 | US11285140, Example 370 ...) Show SMILES CN(C)Cc1cc(nc(n1)C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C28H30F3N11O/c1-39(2)14-19-11-22(38-26(37-19)28(29,30)31)25(43)40-9-4-20(5-10-40)41-15-27(16-41,6-7-32)42-13-18(12-36-42)23-21-3-8-33-24(21)35-17-34-23/h3,8,11-13,17,20H,4-6,9-10,14-16H2,1-2H3,(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))	BDBM400615 (US10695337, Example 371 | US11285140, Example 371 ...) Show SMILES CNCc1cc(nc(n1)C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C27H28F3N11O/c1-32-12-18-10-21(38-25(37-18)27(28,29)30)24(42)39-8-3-19(4-9-39)40-14-26(15-40,5-6-31)41-13-17(11-36-41)22-20-2-7-33-23(20)35-16-34-22/h2,7,10-11,13,16,19,32H,3-5,8-9,12,14-15H2,1H3,(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))	BDBM400616 (US10695337, Example 372 | US11285140, Example 372 ...) Show SMILES FC(F)(F)c1nc(CN2CCC2)cc(n1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C29H30F3N11O/c30-29(31,32)27-38-20(15-40-8-1-9-40)12-23(39-27)26(44)41-10-3-21(4-11-41)42-16-28(17-42,5-6-33)43-14-19(13-37-43)24-22-2-7-34-25(22)36-18-35-24/h2,7,12-14,18,21H,1,3-5,8-11,15-17H2,(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))	BDBM400617 (US10695337, Example 373 | US11285140, Example 373 ...) Show SMILES CCN(CC)Cc1cc(nc(n1)C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C30H34F3N11O/c1-3-41(4-2)16-21-13-24(40-28(39-21)30(31,32)33)27(45)42-11-6-22(7-12-42)43-17-29(18-43,8-9-34)44-15-20(14-38-44)25-23-5-10-35-26(23)37-19-36-25/h5,10,13-15,19,22H,3-4,6-8,11-12,16-18H2,1-2H3,(H,35,36,37)	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))	BDBM400618 (US10695337, Example 374 | US11285140, Example 374 ...) Show SMILES CCN(C)Cc1cc(nc(n1)C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C29H32F3N11O/c1-3-40(2)15-20-12-23(39-27(38-20)29(30,31)32)26(44)41-10-5-21(6-11-41)42-16-28(17-42,7-8-33)43-14-19(13-37-43)24-22-4-9-34-25(22)36-18-35-24/h4,9,12-14,18,21H,3,5-7,10-11,15-17H2,1-2H3,(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))	BDBM400619 (US10695337, Example 375 | US11285140, Example 375 ...) Show SMILES CN(C)Cc1cc(cc(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12)C(F)F Show InChI InChI=1S/C30H33F2N9O/c1-38(2)15-20-11-21(27(31)32)13-22(12-20)29(42)39-9-4-24(5-10-39)40-17-30(18-40,6-7-33)41-16-23(14-37-41)26-25-3-8-34-28(25)36-19-35-26/h3,8,11-14,16,19,24,27H,4-6,9-10,15,17-18H2,1-2H3,(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))	BDBM400620 (US10695337, Example 376 | US11285140, Example 376 ...) Show SMILES FC(F)(F)c1nc(CN2CCCC2)cc(n1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C30H32F3N11O/c31-30(32,33)28-39-21(16-41-9-1-2-10-41)13-24(40-28)27(45)42-11-4-22(5-12-42)43-17-29(18-43,6-7-34)44-15-20(14-38-44)25-23-3-8-35-26(23)37-19-36-25/h3,8,13-15,19,22H,1-2,4-6,9-12,16-18H2,(H,35,36,37)	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))	BDBM400621 (US10695337, Example 377 | US11285140, Example 377 ...) Show SMILES F[C@H]1CCN(Cc2cc(nc(n2)C(F)(F)F)C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)C1 |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))	BDBM400622 (US10695337, Example 378 | US11285140, Example 378 ...) Show SMILES F[C@@H]1CCN(Cc2cc(nc(n2)C(F)(F)F)C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)C1 |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))	BDBM400623 (US10695337, Example 379 | US11285140, Example 379 ...) Show SMILES FC(F)(F)c1nc(CN2CCC(F)(F)C2)cc(n1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C30H30F5N11O/c31-29(32)5-10-43(17-29)14-20-11-23(42-27(41-20)30(33,34)35)26(47)44-8-2-21(3-9-44)45-15-28(16-45,4-6-36)46-13-19(12-40-46)24-22-1-7-37-25(22)39-18-38-24/h1,7,11-13,18,21H,2-5,8-10,14-17H2,(H,37,38,39)	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))	BDBM400624 (US10695337, Example 380 | US11285140, Example 380 ...) Show SMILES CC(C)(C)NCc1cc(nc(n1)C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C30H34F3N11O/c1-28(2,3)38-14-20-12-23(41-27(40-20)30(31,32)33)26(45)42-10-5-21(6-11-42)43-16-29(17-43,7-8-34)44-15-19(13-39-44)24-22-4-9-35-25(22)37-18-36-24/h4,9,12-13,15,18,21,38H,5-7,10-11,14,16-17H2,1-3H3,(H,35,36,37)	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))	BDBM400625 (US10695337, Example 381 | US11285140, Example 381 ...) Show SMILES OCc1cc(nc(n1)C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C26H25F3N10O2/c27-26(28,29)24-35-17(12-40)9-20(36-24)23(41)37-7-2-18(3-8-37)38-13-25(14-38,4-5-30)39-11-16(10-34-39)21-19-1-6-31-22(19)33-15-32-21/h1,6,9-11,15,18,40H,2-4,7-8,12-14H2,(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
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))	BDBM400626 (US10695337, Example 382 | US11285140, Example 382 ...) Show SMILES CC(C)NCc1cc(nc(n1)C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C29H32F3N11O/c1-18(2)35-13-20-11-23(40-27(39-20)29(30,31)32)26(44)41-9-4-21(5-10-41)42-15-28(16-42,6-7-33)43-14-19(12-38-43)24-22-3-8-34-25(22)37-17-36-24/h3,8,11-12,14,17-18,21,35H,4-6,9-10,13,15-16H2,1-2H3,(H,34,36,37)	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))	BDBM400627 (US10695337, Example 383 | US11285140, Example 383 ...) Show SMILES CCNCc1cc(nc(n1)C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C28H30F3N11O/c1-2-33-13-19-11-22(39-26(38-19)28(29,30)31)25(43)40-9-4-20(5-10-40)41-15-27(16-41,6-7-32)42-14-18(12-37-42)23-21-3-8-34-24(21)36-17-35-23/h3,8,11-12,14,17,20,33H,2,4-6,9-10,13,15-16H2,1H3,(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))	BDBM400628 (US10695337, Example 384 | US11285140, Example 384 ...) Show SMILES COCCN(C)Cc1cc(nc(n1)C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C30H34F3N11O2/c1-41(11-12-46-2)16-21-13-24(40-28(39-21)30(31,32)33)27(45)42-9-4-22(5-10-42)43-17-29(18-43,6-7-34)44-15-20(14-38-44)25-23-3-8-35-26(23)37-19-36-25/h3,8,13-15,19,22H,4-6,9-12,16-18H2,1-2H3,(H,35,36,37)	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))	BDBM400629 (US10695337, Example 385 | US11285140, Example 385 ...) Show SMILES CN(CCCO)Cc1cc(nc(n1)C(F)(F)F)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C30H34F3N11O2/c1-41(9-2-12-45)16-21-13-24(40-28(39-21)30(31,32)33)27(46)42-10-4-22(5-11-42)43-17-29(18-43,6-7-34)44-15-20(14-38-44)25-23-3-8-35-26(23)37-19-36-25/h3,8,13-15,19,22,45H,2,4-6,9-12,16-18H2,1H3,(H,35,36,37)	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))	BDBM400630 (Propyl 4-{3-(cyanomethyl)-3-[4-(7H-pyrrolo[2,3-d]p...) Show SMILES CCCOC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C23H28N8O2/c1-2-11-33-22(32)29-9-4-18(5-10-29)30-14-23(15-30,6-7-24)31-13-17(12-28-31)20-19-3-8-25-21(19)27-16-26-20/h3,8,12-13,16,18H,2,4-6,9-11,14-15H2,1H3,(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))	BDBM400631 (Cyclobutylmethyl 4-{3-(cyanomethyl)-3-[4-(7H-pyrro...) Show SMILES O=C(OCC1CCC1)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C25H30N8O2/c26-8-7-25(33-13-19(12-30-33)22-21-4-9-27-23(21)29-17-28-22)15-32(16-25)20-5-10-31(11-6-20)24(34)35-14-18-2-1-3-18/h4,9,12-13,17-18,20H,1-3,5-7,10-11,14-16H2,(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))	BDBM400633 (US10695337, Example 389 | US11285140, Example 389 ...) Show SMILES O=C(OCc1ccccc1)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C27H28N8O2/c28-10-9-27(35-15-21(14-32-35)24-23-6-11-29-25(23)31-19-30-24)17-34(18-27)22-7-12-33(13-8-22)26(36)37-16-20-4-2-1-3-5-20/h1-6,11,14-15,19,22H,7-9,12-13,16-18H2,(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))	BDBM400634 (US10695337, Example 390 | US11285140, Example 390 ...) Show SMILES CC(C)COC(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C24H30N8O2/c1-17(2)13-34-23(33)30-9-4-19(5-10-30)31-14-24(15-31,6-7-25)32-12-18(11-29-32)21-20-3-8-26-22(20)28-16-27-21/h3,8,11-12,16-17,19H,4-6,9-10,13-15H2,1-2H3,(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))	BDBM400637 (2,4-difluorobenzyl 4-{3- (cyanomethyl)-3-[4-(7H- p...) Show SMILES Fc1ccc(COC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(F)c1 Show InChI InChI=1S/C27H26F2N8O2/c28-20-2-1-18(23(29)11-20)14-39-26(38)35-9-4-21(5-10-35)36-15-27(16-36,6-7-30)37-13-19(12-34-37)24-22-3-8-31-25(22)33-17-32-24/h1-3,8,11-13,17,21H,4-6,9-10,14-16H2,(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))	BDBM400639 (3,5-difluorobenzyl 4-{3- (cyanomethyl)-3-[4-(7H- p...) Show SMILES Fc1cc(F)cc(COC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c1 Show InChI InChI=1S/C27H26F2N8O2/c28-20-9-18(10-21(29)11-20)14-39-26(38)35-7-2-22(3-8-35)36-15-27(16-36,4-5-30)37-13-19(12-34-37)24-23-1-6-31-25(23)33-17-32-24/h1,6,9-13,17,22H,2-4,7-8,14-16H2,(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))	BDBM400640 (US10695337, Example 396 | US11285140, Example 396 ...) Show SMILES O=C(OCC1CCCC1)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C26H32N8O2/c27-9-8-26(34-14-20(13-31-34)23-22-5-10-28-24(22)30-18-29-23)16-33(17-26)21-6-11-32(12-7-21)25(35)36-15-19-3-1-2-4-19/h5,10,13-14,18-19,21H,1-4,6-8,11-12,15-17H2,(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
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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