Compile Data Set for Download or QSAR

Found 92 hits with Last Name = 'hollis' and Initial = 'gf'   

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
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM85530 (Nor-d-fenfluramine | Nor-dexfenfluramine | Norfenf...) Show SMILES C[C@H](N)Cc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C10H12F3N/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6-7H,5,14H2,1H3/t7-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 57: 75-81 (2000) BindingDB Entry DOI: 10.7270/Q2P26WPH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM85530 (Nor-d-fenfluramine | Nor-dexfenfluramine | Norfenf...) Show SMILES C[C@H](N)Cc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C10H12F3N/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6-7H,5,14H2,1H3/t7-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 57: 75-81 (2000) BindingDB Entry DOI: 10.7270/Q2P26WPH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM85598 (l-norfenfluramine) Show SMILES C[C@@H](N)Cc1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C10H12F3N/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6-7H,5,14H2,1H3/t7-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 57: 75-81 (2000) BindingDB Entry DOI: 10.7270/Q2P26WPH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM85598 (l-norfenfluramine) Show SMILES C[C@@H](N)Cc1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C10H12F3N/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6-7H,5,14H2,1H3/t7-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	99	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 57: 75-81 (2000) BindingDB Entry DOI: 10.7270/Q2P26WPH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM85530 (Nor-d-fenfluramine | Nor-dexfenfluramine | Norfenf...) Show SMILES C[C@H](N)Cc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C10H12F3N/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6-7H,5,14H2,1H3/t7-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	PubMed	187	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 57: 75-81 (2000) BindingDB Entry DOI: 10.7270/Q2P26WPH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM85598 (l-norfenfluramine) Show SMILES C[C@@H](N)Cc1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C10H12F3N/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6-7H,5,14H2,1H3/t7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	267	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 57: 75-81 (2000) BindingDB Entry DOI: 10.7270/Q2P26WPH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM85597 (CAS_37577-24-5 | NSC_65801 | l-Fenfluramine) Show SMILES CCN[C@H](C)Cc1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3/t9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	PubMed	680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 57: 75-81 (2000) BindingDB Entry DOI: 10.7270/Q2P26WPH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM85597 (CAS_37577-24-5 | NSC_65801 | l-Fenfluramine) Show SMILES CCN[C@H](C)Cc1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3/t9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	PubMed	1.43E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 57: 75-81 (2000) BindingDB Entry DOI: 10.7270/Q2P26WPH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM85597 (CAS_37577-24-5 | NSC_65801 | l-Fenfluramine) Show SMILES CCN[C@H](C)Cc1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3/t9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	PubMed	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 57: 75-81 (2000) BindingDB Entry DOI: 10.7270/Q2P26WPH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM85596 (CAS_3239-45-0 | NSC_65801 | d-Fenfluramine) Show SMILES CCN[C@@H](C)Cc1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank PubMed	2.08E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 57: 75-81 (2000) BindingDB Entry DOI: 10.7270/Q2P26WPH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM85596 (CAS_3239-45-0 | NSC_65801 | d-Fenfluramine) Show SMILES CCN[C@@H](C)Cc1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars	PubMed	3.92E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 57: 75-81 (2000) BindingDB Entry DOI: 10.7270/Q2P26WPH
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13467 ((2R)-2-{[(1S)-1-carbamoyl-2-{4-[difluoro(phosphono...) Show SMILES NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)[C@@H](NC(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(O)=O |r| Show InChI InChI=1S/C22H23F4N3O11P2/c23-21(24,41(35,36)37)13-5-1-11(2-6-13)9-15(18(27)31)28-19(32)17(20(33)34)29-16(30)10-12-3-7-14(8-4-12)22(25,26)42(38,39)40/h1-8,15,17H,9-10H2,(H2,27,31)(H,28,32)(H,29,30)(H,33,34)(H2,35,36,37)(H2,38,39,40)/t15-,17+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	7.0	22
Incyte Corporation					Assay Description The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...				J Biol Chem 281: 38013-21 (2006) Article DOI: 10.1074/jbc.M607913200 BindingDB Entry DOI: 10.7270/Q2JW8C4X
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13469 (({4-[(2S)-2-carbamoyl-2-[(2S)-2-(1-{4-[difluoro(ph...) Show SMILES NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O |r| Show InChI InChI=1S/C28H29F4N3O9P2/c29-27(30,45(39,40)41)20-10-6-18(7-11-20)14-22(25(33)37)35-26(38)23(15-17-4-2-1-3-5-17)34-24(36)16-19-8-12-21(13-9-19)28(31,32)46(42,43)44/h1-13,22-23H,14-16H2,(H2,33,37)(H,34,36)(H,35,38)(H2,39,40,41)(H2,42,43,44)/t22-,23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	7.0	22
Incyte Corporation					Assay Description The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...				J Biol Chem 281: 38013-21 (2006) Article DOI: 10.1074/jbc.M607913200 BindingDB Entry DOI: 10.7270/Q2JW8C4X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM246870 (US10053465, 9 | US10065963, Compound 9 | US1012515...) Show SMILES FC(F)(F)c1nccc(n1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C25H23F3N10O/c26-25(27,28)23-31-8-2-19(35-23)22(39)36-9-3-17(4-10-36)37-13-24(14-37,5-6-29)38-12-16(11-34-38)20-18-1-7-30-21(18)33-15-32-20/h1-2,7-8,11-12,15,17H,3-5,9-10,13-14H2,(H,30,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description JAK1 pathway inhibitors that can be used for the treatment of cytokine-related diseases or disorders are tested for inhibitory activity of JAK target...				Citation and Details BindingDB Entry DOI: 10.7270/Q27M0CVR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM246886 (US10053465, 25 | US10077277, Example 25 | US101251...) Show SMILES C[C@H](O)CNCc1cc(OC2CCN(CC2)[C@H]2C[C@@](CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F |r,wU:18.24,wD:16.16,1.1,(-.2,13.34,;.2,11.85,;1.69,11.45,;-.89,10.76,;-.49,9.28,;-1.58,8.19,;-1.18,6.7,;-2.27,5.61,;-1.87,4.12,;-2.96,3.04,;-2.56,1.55,;-3.65,.46,;-3.25,-1.03,;-1.77,-1.43,;-.68,-.34,;-1.08,1.15,;-1.37,-2.91,;-2.14,-4.25,;-.8,-5.02,;.68,-5.42,;1.77,-4.33,;2.86,-3.24,;-.03,-3.68,;-1.57,-6.35,;-1.1,-7.82,;-2.34,-8.72,;-3.59,-7.82,;-3.11,-6.35,;-2.34,-10.26,;-3.68,-11.03,;-3.68,-12.57,;-2.34,-13.34,;-1.01,-12.57,;.45,-13.05,;1.36,-11.8,;.45,-10.56,;-1.01,-11.03,;-.39,3.73,;.7,4.81,;.3,6.3,;2.19,4.42,;3.28,5.51,;2.59,2.93,;3.68,4.02,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description JAK1 pathway inhibitors that can be used for the treatment of cytokine-related diseases or disorders are tested for inhibitory activity of JAK target...				Citation and Details BindingDB Entry DOI: 10.7270/Q27M0CVR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM246885 (US10053465, 24 | US10065963, Compound 25 | US10125...) Show SMILES C[C@@H](O)CNCc1cc(OC2CCN(CC2)[C@H]2C[C@@](CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F |r,wU:18.24,1.1,wD:16.16,(-.2,13.34,;.2,11.85,;1.69,11.45,;-.89,10.76,;-.49,9.28,;-1.58,8.19,;-1.18,6.7,;-2.27,5.61,;-1.87,4.12,;-2.96,3.04,;-2.56,1.55,;-3.65,.46,;-3.25,-1.03,;-1.77,-1.43,;-.68,-.34,;-1.08,1.15,;-1.37,-2.91,;-2.14,-4.25,;-.8,-5.02,;.68,-5.42,;1.77,-4.33,;2.86,-3.24,;-.03,-3.68,;-1.57,-6.35,;-1.1,-7.82,;-2.34,-8.72,;-3.59,-7.82,;-3.11,-6.35,;-2.34,-10.26,;-3.68,-11.03,;-3.68,-12.57,;-2.34,-13.34,;-1.01,-12.57,;.45,-13.05,;1.36,-11.8,;.45,-10.56,;-1.01,-11.03,;-.39,3.73,;.7,4.81,;.3,6.3,;2.19,4.42,;3.28,5.51,;2.59,2.93,;3.68,4.02,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description JAK1 pathway inhibitors that can be used for the treatment of cytokine-related diseases or disorders are tested for inhibitory activity of JAK target...				Citation and Details BindingDB Entry DOI: 10.7270/Q27M0CVR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM246884 (US10053465, 23 | US10065963, Compound 23 | US10125...) Show SMILES C[C@@H](CO)NCc1cc(OC2CCN(CC2)[C@H]2C[C@@](CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F |r,wU:18.24,1.0,wD:16.16,(-2.38,11.91,;-.89,11.51,;.2,12.6,;1.69,12.2,;-.49,10.02,;-1.58,8.93,;-1.18,7.44,;-2.27,6.36,;-1.87,4.87,;-2.96,3.78,;-2.56,2.29,;-3.65,1.2,;-3.25,-.28,;-1.77,-.68,;-.68,.41,;-1.08,1.89,;-1.37,-2.17,;-2.14,-3.5,;-.8,-4.27,;.68,-4.67,;1.77,-3.58,;2.86,-2.49,;-.03,-2.94,;-1.57,-5.61,;-1.1,-7.07,;-2.34,-7.98,;-3.59,-7.07,;-3.11,-5.61,;-2.34,-9.52,;-3.68,-10.29,;-3.68,-11.83,;-2.34,-12.6,;-1.01,-11.83,;.45,-12.3,;1.36,-11.06,;.45,-9.81,;-1.01,-10.29,;-.39,4.47,;.7,5.56,;.3,7.05,;2.19,5.16,;3.28,6.25,;2.59,3.67,;3.68,4.76,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description JAK1 pathway inhibitors that can be used for the treatment of cytokine-related diseases or disorders are tested for inhibitory activity of JAK target...				Citation and Details BindingDB Entry DOI: 10.7270/Q27M0CVR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM246883 (US10005788, 1 (2nd peak, cis-) | US10053465, 22 | ...) Show SMILES O[C@H]1CCN(Cc2cc(O[C@H]3CC[C@H](CC3)N3CC(CC#N)(C3)n3cc(cn3)-c3ncnc4[nH]ccc34)nc(c2)C(F)(F)F)C1 |r,wU:13.16,10.9,wD:1.0,(.78,4.73,;-.7,5.13,;-1.18,6.59,;-2.72,6.59,;-3.2,5.13,;-4.68,4.73,;-5.08,3.24,;-3.99,2.15,;-4.39,.66,;-3.3,-.43,;-1.81,-.03,;-1.42,1.46,;.07,1.86,;1.16,.77,;.76,-.72,;-.73,-1.12,;2.65,1.17,;3.42,2.5,;4.75,1.73,;5.52,3.07,;7.06,3.07,;8.6,3.07,;3.98,.4,;5.52,.4,;5.05,-1.07,;6.29,-1.97,;7.54,-1.07,;7.06,.4,;6.29,-3.51,;4.96,-4.28,;4.96,-5.82,;6.29,-6.59,;7.63,-5.82,;9.09,-6.3,;10,-5.05,;9.09,-3.81,;7.63,-4.28,;-5.88,.27,;-6.97,1.35,;-6.57,2.84,;-8.46,.96,;-9.54,2.04,;-8.85,-.53,;-10,.96,;-1.95,4.22,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description JAK1 pathway inhibitors that can be used for the treatment of cytokine-related diseases or disorders are tested for inhibitory activity of JAK target...				Citation and Details BindingDB Entry DOI: 10.7270/Q27M0CVR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM246882 (US10053465, 21 | US10065963, Compound 21 | US10125...) Show SMILES O[C@@H]1CCN(Cc2cc(O[C@H]3CC[C@H](CC3)N3CC(CC#N)(C3)n3cc(cn3)-c3ncnc4[nH]ccc34)nc(c2)C(F)(F)F)C1 |r,wU:13.16,10.9,1.0,(.78,4.73,;-.7,5.13,;-1.18,6.59,;-2.72,6.59,;-3.2,5.13,;-4.68,4.73,;-5.08,3.24,;-3.99,2.15,;-4.39,.66,;-3.3,-.43,;-1.81,-.03,;-1.42,1.46,;.07,1.86,;1.16,.77,;.76,-.72,;-.73,-1.12,;2.65,1.17,;3.42,2.5,;4.75,1.73,;5.52,3.07,;7.06,3.07,;8.6,3.07,;3.98,.4,;5.52,.4,;5.05,-1.07,;6.29,-1.97,;7.54,-1.07,;7.06,.4,;6.29,-3.51,;4.96,-4.28,;4.96,-5.82,;6.29,-6.59,;7.63,-5.82,;9.09,-6.3,;10,-5.05,;9.09,-3.81,;7.63,-4.28,;-5.88,.27,;-6.97,1.35,;-6.57,2.84,;-8.46,.96,;-9.54,2.04,;-8.85,-.53,;-10,.96,;-1.95,4.22,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description JAK1 pathway inhibitors that can be used for the treatment of cytokine-related diseases or disorders are tested for inhibitory activity of JAK target...				Citation and Details BindingDB Entry DOI: 10.7270/Q27M0CVR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM246881 (US10053465, 20 | US10065963, Compound 20 | US10125...) Show SMILES CC(C)(O)c1cc(O[C@H]2CC[C@H](CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F |r,wU:11.14,8.7,(8.48,4.71,;7.15,5.48,;7.15,7.02,;8.48,6.25,;5.82,4.71,;4.48,5.48,;3.15,4.71,;1.82,5.48,;.48,4.71,;.48,3.17,;-.85,2.4,;-2.18,3.17,;-2.18,4.71,;-.85,5.48,;-3.52,2.4,;-3.92,.91,;-5.4,1.31,;-6.94,1.31,;-7.71,2.64,;-8.48,3.97,;-5.01,2.79,;-6.17,-.03,;-5.7,-1.49,;-6.94,-2.4,;-8.19,-1.49,;-7.71,-.03,;-6.94,-3.94,;-8.28,-4.71,;-8.28,-6.25,;-6.94,-7.02,;-5.61,-6.25,;-4.15,-6.72,;-3.24,-5.48,;-4.15,-4.23,;-5.61,-4.71,;3.15,3.17,;4.48,2.4,;5.82,3.17,;4.48,.86,;5.82,.09,;3.15,.09,;4.48,-.68,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description JAK1 pathway inhibitors that can be used for the treatment of cytokine-related diseases or disorders are tested for inhibitory activity of JAK target...				Citation and Details BindingDB Entry DOI: 10.7270/Q27M0CVR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM246880 (US10053465, 19 | US10065963, Compound 19 | US10125...) Show SMILES CCNCc1cc(O[C@H]2CC[C@H](CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F |r,wU:11.14,8.7,(9.82,5.48,;8.48,6.25,;7.15,5.48,;5.82,6.25,;4.48,5.48,;3.15,6.25,;1.82,5.48,;.48,6.25,;-.85,5.48,;-.85,3.94,;-2.18,3.17,;-3.52,3.94,;-3.52,5.48,;-2.18,6.25,;-4.85,3.17,;-5.25,1.68,;-6.74,2.08,;-8.28,2.08,;-9.05,3.41,;-9.82,4.74,;-6.34,3.56,;-7.51,.74,;-7.03,-.72,;-8.28,-1.63,;-9.52,-.72,;-9.05,.74,;-8.28,-3.17,;-9.61,-3.94,;-9.61,-5.48,;-8.28,-6.25,;-6.94,-5.48,;-5.48,-5.95,;-4.57,-4.71,;-5.48,-3.46,;-6.94,-3.94,;1.82,3.94,;3.15,3.17,;4.48,3.94,;3.15,1.63,;4.48,.86,;1.82,.86,;3.15,.09,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description JAK1 pathway inhibitors that can be used for the treatment of cytokine-related diseases or disorders are tested for inhibitory activity of JAK target...				Citation and Details BindingDB Entry DOI: 10.7270/Q27M0CVR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM246879 (US10053465, 18 | US10065963, Compound 18 | US10125...) Show SMILES OCCc1cc(O[C@H]2CC[C@H](CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(n1)C(F)(F)F |r,wU:10.13,7.6,(9.15,6.25,;7.82,5.48,;6.48,6.25,;5.15,5.48,;3.82,6.25,;2.48,5.48,;1.15,6.25,;-.18,5.48,;-.18,3.94,;-1.52,3.17,;-2.85,3.94,;-2.85,5.48,;-1.52,6.25,;-4.19,3.17,;-4.58,1.68,;-6.07,2.08,;-7.61,2.08,;-8.38,3.41,;-9.15,4.74,;-5.67,3.56,;-6.84,.74,;-6.37,-.72,;-7.61,-1.63,;-8.86,-.72,;-8.38,.74,;-7.61,-3.17,;-8.95,-3.94,;-8.95,-5.48,;-7.61,-6.25,;-6.28,-5.48,;-4.81,-5.95,;-3.91,-4.71,;-4.81,-3.46,;-6.28,-3.94,;2.48,3.94,;3.82,3.17,;5.15,3.94,;3.82,1.63,;5.15,.86,;2.48,.86,;3.82,.09,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description JAK1 pathway inhibitors that can be used for the treatment of cytokine-related diseases or disorders are tested for inhibitory activity of JAK target...				Citation and Details BindingDB Entry DOI: 10.7270/Q27M0CVR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM262166 (5-{3-(cyanomethyl)- 3-[4-(1H-pyrrolo[2,3- b]pyridi...) Show SMILES CC(C)NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C23H23N9O/c1-15(2)30-22(33)19-10-28-20(11-27-19)31-13-23(14-31,5-6-24)32-12-16(9-29-32)17-3-7-25-21-18(17)4-8-26-21/h3-4,7-12,15H,5,13-14H2,1-2H3,(H,25,26)(H,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description JAK1 pathway inhibitors that can be used for the treatment of cytokine-related diseases or disorders are tested for inhibitory activity of JAK target...				Citation and Details BindingDB Entry DOI: 10.7270/Q27M0CVR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM596393 (4-{3-(cyanomethyl)-3-[4- (7H-pyrrolo[2,3- d]pyrimi...) Show SMILES C[C@H](NC(=O)c1cc(F)c(cc1F)N1CC(CC#N)(C1)n1cc(cn1)-c1nccc2[nH]ccc12)C(F)(F)F |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description JAK1 pathway inhibitors that can be used for the treatment of cytokine-related diseases or disorders are tested for inhibitory activity of JAK target...				Citation and Details BindingDB Entry DOI: 10.7270/Q27M0CVR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM596392 (5-{3-(cyanomethyl)-3-[4- (7H-pyrrolo[2,3- d]pyrimi...) Show SMILES CC(C)NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1nccc2[nH]ccc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description JAK1 pathway inhibitors that can be used for the treatment of cytokine-related diseases or disorders are tested for inhibitory activity of JAK target...				Citation and Details BindingDB Entry DOI: 10.7270/Q27M0CVR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM246875 (4-(4-{3- [(dimethylamino) methyl]-5- fluorophenoxy...) Show SMILES CN(C)Cc1cc(F)cc(OC2CCN(CC(CC#N)n3cc(cn3)-c3ncnc4[nH]ccc34)CC2)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description JAK1 pathway inhibitors that can be used for the treatment of cytokine-related diseases or disorders are tested for inhibitory activity of JAK target...				Citation and Details BindingDB Entry DOI: 10.7270/Q27M0CVR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM246874 (US10053465, 13 | US10065963, Compound 13 | US10125...) Show SMILES OC[C@H]1CCCN1Cc1cc(OC2CCN(CC2)[C@H]2C[C@@](CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F |r,wU:20.27,wD:18.19,2.1,(3.36,8.8,;1.82,8.8,;1.05,10.14,;1.52,11.59,;.29,12.48,;-.95,11.59,;-.49,10.14,;-1.58,9.05,;-1.18,7.56,;-2.27,6.47,;-1.87,4.98,;-2.96,3.9,;-2.56,2.41,;-3.65,1.32,;-3.25,-.17,;-1.77,-.57,;-.68,.52,;-1.08,2.01,;-1.37,-2.05,;-2.14,-3.39,;-.8,-4.16,;.68,-4.56,;1.77,-3.47,;2.86,-2.38,;-.03,-2.82,;-1.57,-5.49,;-1.1,-6.96,;-2.34,-7.86,;-3.59,-6.96,;-3.11,-5.49,;-2.34,-9.4,;-3.68,-10.17,;-3.68,-11.71,;-2.34,-12.48,;-1.01,-11.71,;.45,-12.19,;1.36,-10.94,;.45,-9.7,;-1.01,-10.17,;-.39,4.59,;.7,5.67,;.3,7.16,;2.19,5.28,;3.28,6.37,;2.59,3.79,;3.68,4.88,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description JAK1 pathway inhibitors that can be used for the treatment of cytokine-related diseases or disorders are tested for inhibitory activity of JAK target...				Citation and Details BindingDB Entry DOI: 10.7270/Q27M0CVR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM246873 (US10053465, 12 | US10065963, Compound 12 | US10125...) Show SMILES OC[C@@H]1CCCN1Cc1cc(OC2CCN(CC2)[C@H]2C[C@@](CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F |r,wU:20.27,2.1,wD:18.19,(3.36,8.8,;1.82,8.8,;1.05,10.14,;1.52,11.59,;.29,12.48,;-.95,11.59,;-.49,10.14,;-1.58,9.05,;-1.18,7.56,;-2.27,6.47,;-1.87,4.98,;-2.96,3.9,;-2.56,2.41,;-3.65,1.32,;-3.25,-.17,;-1.77,-.57,;-.68,.52,;-1.08,2.01,;-1.37,-2.05,;-2.14,-3.39,;-.8,-4.16,;.68,-4.56,;1.77,-3.47,;2.86,-2.38,;-.03,-2.82,;-1.57,-5.49,;-1.1,-6.96,;-2.34,-7.86,;-3.59,-6.96,;-3.11,-5.49,;-2.34,-9.4,;-3.68,-10.17,;-3.68,-11.71,;-2.34,-12.48,;-1.01,-11.71,;.45,-12.19,;1.36,-10.94,;.45,-9.7,;-1.01,-10.17,;-.39,4.59,;.7,5.67,;.3,7.16,;2.19,5.28,;3.28,6.37,;2.59,3.79,;3.68,4.88,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description JAK1 pathway inhibitors that can be used for the treatment of cytokine-related diseases or disorders are tested for inhibitory activity of JAK target...				Citation and Details BindingDB Entry DOI: 10.7270/Q27M0CVR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM246872 (US10053465, 11 | US10065963, Compound 11 | US10125...) Show SMILES OC1CN(Cc2cc(OC3CCN(CC3)[C@H]3C[C@@](CC#N)(C3)n3cc(cn3)-c3ncnc4[nH]ccc34)nc(c2)C(F)(F)F)C1 |r,wU:17.23,wD:15.15,(2.14,12.62,;1.05,11.53,;1.05,9.99,;-.49,9.99,;-1.58,8.91,;-1.18,7.42,;-2.27,6.33,;-1.87,4.84,;-2.96,3.75,;-2.56,2.27,;-3.65,1.18,;-3.25,-.31,;-1.77,-.71,;-.68,.38,;-1.08,1.87,;-1.37,-2.2,;-2.14,-3.53,;-.8,-4.3,;.68,-4.7,;1.77,-3.61,;2.86,-2.52,;-.03,-2.97,;-1.57,-5.63,;-1.1,-7.1,;-2.34,-8,;-3.59,-7.1,;-3.11,-5.63,;-2.34,-9.54,;-3.68,-10.31,;-3.68,-11.85,;-2.34,-12.62,;-1.01,-11.85,;.45,-12.33,;1.36,-11.08,;.45,-9.84,;-1.01,-10.31,;-.39,4.44,;.7,5.53,;.3,7.02,;2.19,5.13,;3.28,6.22,;2.59,3.65,;3.68,4.74,;-.49,11.53,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description JAK1 pathway inhibitors that can be used for the treatment of cytokine-related diseases or disorders are tested for inhibitory activity of JAK target...				Citation and Details BindingDB Entry DOI: 10.7270/Q27M0CVR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM246871 (US10053465, 10 | US10065963, Compound 10 | US10125...) Show SMILES FC(F)(F)c1nccc(n1)C(=O)N1CCN(CC1)[C@H]1C[C@@](CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r,wU:20.27,wD:18.19,(-2.27,10.39,;-.79,10,;.3,11.08,;-.79,11.54,;-.39,8.51,;1.1,8.11,;1.5,6.62,;.41,5.53,;-1.08,5.93,;-1.48,7.42,;-2.17,4.84,;-3.66,5.24,;-1.77,3.35,;-2.86,2.27,;-2.46,.78,;-.97,.38,;.12,1.47,;-.28,2.96,;-.57,-1.11,;-1.34,-2.44,;-.01,-3.21,;1.48,-3.61,;2.57,-2.52,;3.66,-1.43,;.76,-1.88,;-.78,-4.55,;-.3,-6.01,;-1.55,-6.92,;-2.8,-6.01,;-2.32,-4.55,;-1.55,-8.46,;-2.88,-9.23,;-2.88,-10.77,;-1.55,-11.54,;-.22,-10.77,;1.25,-11.24,;2.15,-10,;1.25,-8.75,;-.22,-9.23,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description JAK1 pathway inhibitors that can be used for the treatment of cytokine-related diseases or disorders are tested for inhibitory activity of JAK target...				Citation and Details BindingDB Entry DOI: 10.7270/Q27M0CVR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM246867 (4-[(4-{3-cyano-2-[3- (7H-pyrrolo[2,3- d]pyrimidin-...) Show SMILES Fc1cc(ccc1C(=O)N1CCN(CC(CC#N)n2ccc(c2)-c2ncnc3[nH]ccc23)CC1)C#N Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description JAK1 pathway inhibitors that can be used for the treatment of cytokine-related diseases or disorders are tested for inhibitory activity of JAK target...				Citation and Details BindingDB Entry DOI: 10.7270/Q27M0CVR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM596385 (4-[(4-{3-cyano-2-[4-(7H- pyrrolo[2,3-d]pyrimidin- ...) Show SMILES Fc1cc(ccc1C(=O)N1CCN(CC(CC#N)n2cc(cn2)-c2nccc3[nH]ccc23)CC1)C#N Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description JAK1 pathway inhibitors that can be used for the treatment of cytokine-related diseases or disorders are tested for inhibitory activity of JAK target...				Citation and Details BindingDB Entry DOI: 10.7270/Q27M0CVR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM246864 (3-(1- [1,3]oxazolo[5,4- b]pyridin-2- ylpyrrolidin-...) Show SMILES N#CCC(C1CCN(C1)c1nc2cccnc2o1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description JAK1 pathway inhibitors that can be used for the treatment of cytokine-related diseases or disorders are tested for inhibitory activity of JAK target...				Citation and Details BindingDB Entry DOI: 10.7270/Q27M0CVR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM246861 (3-[1-(6- chloropyridin-2- yl)pyrrolidin-3-yl]-3- [...) Show SMILES Clc1cccc(n1)N1CCC(C1)C(CC#N)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description JAK1 pathway inhibitors that can be used for the treatment of cytokine-related diseases or disorders are tested for inhibitory activity of JAK target...				Citation and Details BindingDB Entry DOI: 10.7270/Q27M0CVR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM246888 (US10053465, 26 | US10065963, Compound 26 | US10125...) Show SMILES OCCc1cc(OC2CCN(CC2)[C@H]2C[C@@](CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)nc(c1)C(F)(F)F |r,wU:15.21,wD:13.13,(-.89,12.05,;-.49,10.57,;-1.58,9.48,;-1.18,7.99,;-2.27,6.9,;-1.87,5.41,;-2.96,4.32,;-2.56,2.84,;-3.65,1.75,;-3.25,.26,;-1.77,-.14,;-.68,.95,;-1.08,2.44,;-1.37,-1.63,;-2.14,-2.96,;-.8,-3.73,;.68,-4.13,;1.77,-3.04,;2.86,-1.95,;-.03,-2.4,;-1.57,-5.06,;-1.1,-6.53,;-2.34,-7.43,;-3.59,-6.53,;-3.11,-5.06,;-2.34,-8.97,;-3.68,-9.74,;-3.68,-11.28,;-2.34,-12.05,;-1.01,-11.28,;.45,-11.76,;1.36,-10.51,;.45,-9.27,;-1.01,-9.74,;-.39,5.01,;.7,6.1,;.3,7.59,;2.19,5.7,;3.28,6.79,;2.59,4.22,;3.68,5.31,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description JAK1 pathway inhibitors that can be used for the treatment of cytokine-related diseases or disorders are tested for inhibitory activity of JAK target...				Citation and Details BindingDB Entry DOI: 10.7270/Q27M0CVR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description JAK1 pathway inhibitors that can be used for the treatment of cytokine-related diseases or disorders are tested for inhibitory activity of JAK target...				Citation and Details BindingDB Entry DOI: 10.7270/Q27M0CVR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM246869 (4-{3-(Cyanomethyl)- 3-[4-(7H-pyrrolo[2,3- d]pyrimi...) Show SMILES Fc1ccc(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)c(c1)C(F)(F)F Show InChI InChI=1S/C27H25F4N9O/c28-18-1-2-22(21(11-18)27(29,30)31)37-25(41)38-9-4-19(5-10-38)39-14-26(15-39,6-7-32)40-13-17(12-36-40)23-20-3-8-33-24(20)35-16-34-23/h1-3,8,11-13,16,19H,4-6,9-10,14-15H2,(H,37,41)(H,33,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description JAK1 pathway inhibitors that can be used for the treatment of cytokine-related diseases or disorders are tested for inhibitory activity of JAK target...				Citation and Details BindingDB Entry DOI: 10.7270/Q27M0CVR
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13507 (Isothiazolidinone (IZD) deriv. 43 | N-[(1S)-1-(1H-...) Show SMILES O=C1CC(c2ccc(C[C@H](NS(=O)(=O)c3ccccc3)c3nc4ccccc4[nH]3)cc2C#N)S(=O)(=O)N1 |r| Show InChI InChI=1S/C25H21N5O5S2/c26-15-17-12-16(10-11-19(17)23-14-24(31)30-37(23,34)35)13-22(25-27-20-8-4-5-9-21(20)28-25)29-36(32,33)18-6-2-1-3-7-18/h1-12,22-23,29H,13-14H2,(H,27,28)(H,30,31)/t22-,23?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation					Assay Description The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...				J Biol Chem 281: 38013-21 (2006) Article DOI: 10.1074/jbc.M607913200 BindingDB Entry DOI: 10.7270/Q2JW8C4X
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13508 (Isothiazolidinone (IZD) deriv. 44 | N-[(1S)-1-(1H-...) Show SMILES Fc1cc(C[C@H](NS(=O)(=O)c2ccccc2)c2nc3ccccc3[nH]2)ccc1C1CC(=O)NS1(=O)=O |r| Show InChI InChI=1S/C24H21FN4O5S2/c25-18-12-15(10-11-17(18)22-14-23(30)29-36(22,33)34)13-21(24-26-19-8-4-5-9-20(19)27-24)28-35(31,32)16-6-2-1-3-7-16/h1-12,21-22,28H,13-14H2,(H,26,27)(H,29,30)/t21-,22?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation					Assay Description The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...				J Biol Chem 281: 38013-21 (2006) Article DOI: 10.1074/jbc.M607913200 BindingDB Entry DOI: 10.7270/Q2JW8C4X
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13493 (Isothiazolidinone (IZD) deriv. 29 | N-[(1S)-1-(1H-...) Show SMILES FC(F)(F)c1cc(ccc1Br)S(=O)(=O)N[C@@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1 |r| Show InChI InChI=1S/C25H20BrF3N4O5S2/c26-18-10-9-16(12-17(18)25(27,28)29)39(35,36)32-21(24-30-19-3-1-2-4-20(19)31-24)11-14-5-7-15(8-6-14)22-13-23(34)33-40(22,37)38/h1-10,12,21-22,32H,11,13H2,(H,30,31)(H,33,34)/t21-,22?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation					Assay Description The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...				J Biol Chem 281: 38013-21 (2006) Article DOI: 10.1074/jbc.M607913200 BindingDB Entry DOI: 10.7270/Q2JW8C4X
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13471 (({4-[(2S)-2-carbamoyl-2-[2-(1-{4-[difluoro(phospho...) Show SMILES NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)CNC(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O |r| Show InChI InChI=1S/C21H23F4N3O9P2/c22-20(23,38(32,33)34)14-5-1-12(2-6-14)9-16(19(26)31)28-18(30)11-27-17(29)10-13-3-7-15(8-4-13)21(24,25)39(35,36)37/h1-8,16H,9-11H2,(H2,26,31)(H,27,29)(H,28,30)(H2,32,33,34)(H2,35,36,37)/t16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	7.0	22
Incyte Corporation					Assay Description The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...				J Biol Chem 281: 38013-21 (2006) Article DOI: 10.1074/jbc.M607913200 BindingDB Entry DOI: 10.7270/Q2JW8C4X
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13470 (Difluoromethylphosphonic acid (DFMP) deriv. 9 | [(...) Show SMILES OP(O)(=O)C(F)(F)c1ccc(CCNC(=O)[C@H](Cc2ccccc2)NC(=O)Cc2ccc(cc2)C(F)(F)P(O)(O)=O)cc1 |r| Show InChI InChI=1S/C27H28F4N2O8P2/c28-26(29,42(36,37)38)21-10-6-18(7-11-21)14-15-32-25(35)23(16-19-4-2-1-3-5-19)33-24(34)17-20-8-12-22(13-9-20)27(30,31)43(39,40)41/h1-13,23H,14-17H2,(H,32,35)(H,33,34)(H2,36,37,38)(H2,39,40,41)/t23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	7.0	22
Incyte Corporation					Assay Description The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...				J Biol Chem 281: 38013-21 (2006) Article DOI: 10.1074/jbc.M607913200 BindingDB Entry DOI: 10.7270/Q2JW8C4X
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13494 (Isothiazolidinone (IZD) deriv. 30 | N-[(1S)-1-(1H-...) Show SMILES Clc1cc(Cl)cc(c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1 |r| Show InChI InChI=1S/C24H20Cl2N4O5S2/c25-16-10-17(26)12-18(11-16)36(32,33)29-21(24-27-19-3-1-2-4-20(19)28-24)9-14-5-7-15(8-6-14)22-13-23(31)30-37(22,34)35/h1-8,10-12,21-22,29H,9,13H2,(H,27,28)(H,30,31)/t21-,22?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation					Assay Description The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...				J Biol Chem 281: 38013-21 (2006) Article DOI: 10.1074/jbc.M607913200 BindingDB Entry DOI: 10.7270/Q2JW8C4X
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13509 (Isothiazolidinone (IZD) deriv. 45 | N-[(1S)-1-(1H-...) Show SMILES Cc1cc(C[C@H](NS(=O)(=O)c2ccccc2)c2nc3ccccc3[nH]2)ccc1C1CC(=O)NS1(=O)=O |r| Show InChI InChI=1S/C25H24N4O5S2/c1-16-13-17(11-12-19(16)23-15-24(30)29-36(23,33)34)14-22(25-26-20-9-5-6-10-21(20)27-25)28-35(31,32)18-7-3-2-4-8-18/h2-13,22-23,28H,14-15H2,1H3,(H,26,27)(H,29,30)/t22-,23?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation					Assay Description The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...				J Biol Chem 281: 38013-21 (2006) Article DOI: 10.1074/jbc.M607913200 BindingDB Entry DOI: 10.7270/Q2JW8C4X
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13475 (Isothiazolidinone (IZD) deriv. 4 | N-[(1S)-1-(1H-1...) Show SMILES CN1CCOc2cc(ccc12)S(=O)(=O)N[C@@H](Cc1ccc(cc1)[C@@H]1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1 |r| Show InChI InChI=1S/C27H27N5O6S2/c1-32-12-13-38-24-15-19(10-11-23(24)32)39(34,35)30-22(27-28-20-4-2-3-5-21(20)29-27)14-17-6-8-18(9-7-17)25-16-26(33)31-40(25,36)37/h2-11,15,22,25,30H,12-14,16H2,1H3,(H,28,29)(H,31,33)/t22-,25-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	7.0	22
Incyte Corporation					Assay Description The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...				J Biol Chem 281: 38013-21 (2006) Article DOI: 10.1074/jbc.M607913200 BindingDB Entry DOI: 10.7270/Q2JW8C4X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13809 ((2S)-N-[(1S)-1-carbamoyl-2-[4-(1,1,3-trioxo-2,3-di...) Show SMILES NC(=O)[C@H](Cc1ccc(cc1)C1=CC(=O)NS1(=O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(cc1)C1=CC(=O)NS1(=O)=O |r,t:12,44| Show InChI InChI=1S/C32H29N5O9S2/c33-31(41)24(14-20-6-10-22(11-7-20)26-17-29(39)36-47(26,43)44)35-32(42)25(15-19-4-2-1-3-5-19)34-28(38)16-21-8-12-23(13-9-21)27-18-30(40)37-48(27,45)46/h1-13,17-18,24-25H,14-16H2,(H2,33,41)(H,34,38)(H,35,42)(H,36,39)(H,37,40)/t24-,25-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	7.0	22
Incyte Corporation					Assay Description The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...				J Biol Chem 281: 32784-95 (2006) Article DOI: 10.1074/jbc.M606873200 BindingDB Entry DOI: 10.7270/Q2GX48SD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13495 (Isothiazolidinone (IZD) deriv. 31 | N-[(1S)-1-(1H-...) Show SMILES Fc1cccc(c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1 |r| Show InChI InChI=1S/C24H21FN4O5S2/c25-17-4-3-5-18(13-17)35(31,32)28-21(24-26-19-6-1-2-7-20(19)27-24)12-15-8-10-16(11-9-15)22-14-23(30)29-36(22,33)34/h1-11,13,21-22,28H,12,14H2,(H,26,27)(H,29,30)/t21-,22?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation					Assay Description The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...				J Biol Chem 281: 38013-21 (2006) Article DOI: 10.1074/jbc.M607913200 BindingDB Entry DOI: 10.7270/Q2JW8C4X
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13510 (Isothiazolidinone (IZD) deriv. 46 | N-[(1S)-1-(1H-...) Show SMILES Clc1cc(C[C@H](NS(=O)(=O)c2ccccc2)c2nc3ccccc3[nH]2)ccc1C1CC(=O)NS1(=O)=O |r| Show InChI InChI=1S/C24H21ClN4O5S2/c25-18-12-15(10-11-17(18)22-14-23(30)29-36(22,33)34)13-21(24-26-19-8-4-5-9-20(19)27-24)28-35(31,32)16-6-2-1-3-7-16/h1-12,21-22,28H,13-14H2,(H,26,27)(H,29,30)/t21-,22?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation					Assay Description The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...				J Biol Chem 281: 38013-21 (2006) Article DOI: 10.1074/jbc.M607913200 BindingDB Entry DOI: 10.7270/Q2JW8C4X
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13496 (Isothiazolidinone (IZD) deriv. 32 | N-[(1S)-1-(1H-...) Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1 |r| Show InChI InChI=1S/C25H24N4O5S2/c1-16-6-12-19(13-7-16)35(31,32)28-22(25-26-20-4-2-3-5-21(20)27-25)14-17-8-10-18(11-9-17)23-15-24(30)29-36(23,33)34/h2-13,22-23,28H,14-15H2,1H3,(H,26,27)(H,29,30)/t22-,23?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation					Assay Description The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...				J Biol Chem 281: 38013-21 (2006) Article DOI: 10.1074/jbc.M607913200 BindingDB Entry DOI: 10.7270/Q2JW8C4X
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13497 (Isothiazolidinone (IZD) deriv. 33 | N-[(1S)-1-(1H-...) Show SMILES Cc1cc(ccc1-c1ccccc1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1 |r| Show InChI InChI=1S/C31H28N4O5S2/c1-20-17-24(15-16-25(20)22-7-3-2-4-8-22)41(37,38)34-28(31-32-26-9-5-6-10-27(26)33-31)18-21-11-13-23(14-12-21)29-19-30(36)35-42(29,39)40/h2-17,28-29,34H,18-19H2,1H3,(H,32,33)(H,35,36)/t28-,29?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation					Assay Description The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...				J Biol Chem 281: 38013-21 (2006) Article DOI: 10.1074/jbc.M607913200 BindingDB Entry DOI: 10.7270/Q2JW8C4X
					More data for this Ligand-Target Pair

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