Compile Data Set for Download or QSAR

Found 9732 hits with Last Name = 'jia' and Initial = 'l'   

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
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50166873 (CHEMBL3800456) Show SMILES Cc1ccccc1OC(=O)N1CCC(CC1)c1nc(cs1)C1=NOC(C1)c1ccccc1 |t:24| Show InChI InChI=1S/C21H19NO5/c1-13-3-4-16(11-14(13)2)18(23)12-27-21(26)15-5-7-17(8-6-15)22-19(24)9-10-20(22)25/h3-11,24-25H,12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
E.I. Du Pont de Nemours and Company Curated by ChEMBL					Assay Description Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate ...				Bioorg Med Chem Lett 26: 2965-2973 (2016) Article DOI: 10.1016/j.bmcl.2016.02.061 BindingDB Entry DOI: 10.7270/Q2M32XNP
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50166868 (CHEMBL3797635) Show SMILES O=C(Oc1cccc(c1)C#N)N1CCC(CC1)c1nc(cs1)C1=NOC(C1)c1ccccc1 |t:25| Show InChI InChI=1S/C25H21NO7/c27-20(16-7-10-21-22(13-16)32-12-11-31-21)14-33-25(30)15-5-8-17(9-6-15)26-23(28)18-3-1-2-4-19(18)24(26)29/h1-2,5-10,13,28-29H,3-4,11-12,14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
E.I. Du Pont de Nemours and Company Curated by ChEMBL					Assay Description Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate ...				Bioorg Med Chem Lett 26: 2965-2973 (2016) Article DOI: 10.1016/j.bmcl.2016.02.061 BindingDB Entry DOI: 10.7270/Q2M32XNP
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50166871 (CHEMBL3797841) Show SMILES Clc1ccccc1OC(=O)N1CCC(CC1)c1nc(cs1)C1=NOC(C1)c1ccccc1 |t:24| Show InChI InChI=1S/C26H23NO5/c28-23(19-9-8-16-4-3-5-18(16)14-19)15-32-26(31)17-10-12-20(13-11-17)27-24(29)21-6-1-2-7-22(21)25(27)30/h1-2,8-14,29-30H,3-7,15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
E.I. Du Pont de Nemours and Company Curated by ChEMBL					Assay Description Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate ...				Bioorg Med Chem Lett 26: 2965-2973 (2016) Article DOI: 10.1016/j.bmcl.2016.02.061 BindingDB Entry DOI: 10.7270/Q2M32XNP
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50166866 (CHEMBL3798156) Show SMILES O=C(Oc1ccccc1)N1CCC(CC1)c1nc(cs1)C1=NOC(C1)c1ccccc1 |t:23| Show InChI InChI=1S/C22H21NO5/c1-14-6-7-17(12-15(14)2)19(24)13-28-22(27)16-8-10-18(11-9-16)23-20(25)4-3-5-21(23)26/h6-12H,3-5,13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
E.I. Du Pont de Nemours and Company Curated by ChEMBL					Assay Description Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate ...				Bioorg Med Chem Lett 26: 2965-2973 (2016) Article DOI: 10.1016/j.bmcl.2016.02.061 BindingDB Entry DOI: 10.7270/Q2M32XNP
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50166869 (CHEMBL3799744) Show SMILES Clc1ccc(OC(=O)N2CCC(CC2)c2nc(cs2)C2=NOC(C2)c2ccccc2)cc1 |t:21| Show InChI InChI=1S/C25H23NO7/c1-31-21-12-9-16(13-22(21)32-2)20(27)14-33-25(30)15-7-10-17(11-8-15)26-23(28)18-5-3-4-6-19(18)24(26)29/h3-4,7-13,28-29H,5-6,14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
E.I. Du Pont de Nemours and Company Curated by ChEMBL					Assay Description Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate ...				Bioorg Med Chem Lett 26: 2965-2973 (2016) Article DOI: 10.1016/j.bmcl.2016.02.061 BindingDB Entry DOI: 10.7270/Q2M32XNP
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50166866 (CHEMBL3798156) Show SMILES O=C(Oc1ccccc1)N1CCC(CC1)c1nc(cs1)C1=NOC(C1)c1ccccc1 |t:23| Show InChI InChI=1S/C22H21NO5/c1-14-6-7-17(12-15(14)2)19(24)13-28-22(27)16-8-10-18(11-9-16)23-20(25)4-3-5-21(23)26/h6-12H,3-5,13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
E.I. Du Pont de Nemours and Company Curated by ChEMBL					Assay Description Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 assessed as enzyme ina...				Bioorg Med Chem Lett 26: 2965-2973 (2016) Article DOI: 10.1016/j.bmcl.2016.02.061 BindingDB Entry DOI: 10.7270/Q2M32XNP
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50166890 (CHEMBL3797809) Show SMILES O=C(Oc1ccc(cc1)C#N)N1CCN(CC1)c1nc(cs1)C1=NOC(C1)c1ccccc1 |t:25| Show InChI InChI=1S/C24H21N5O3S/c25-15-17-6-8-19(9-7-17)31-24(30)29-12-10-28(11-13-29)23-26-21(16-33-23)20-14-22(32-27-20)18-4-2-1-3-5-18/h1-9,16,22H,10-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.00800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
E.I. Du Pont de Nemours and Company Curated by ChEMBL					Assay Description Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate ...				Bioorg Med Chem Lett 26: 2965-2973 (2016) Article DOI: 10.1016/j.bmcl.2016.02.061 BindingDB Entry DOI: 10.7270/Q2M32XNP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50242686 (CHEMBL4077003) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)c1cccc(O)c1)N2CC(=O)C1CCCCC1 |r,@@:7,TLB:9:7:3.2:16| Show InChI InChI=1S/C21H29NO2/c23-20-8-4-7-16(13-20)17-11-18-9-10-19(12-17)22(18)14-21(24)15-5-2-1-3-6-15/h4,7-8,13,15,17-19,23H,1-3,5-6,9-12,14H2/t18-,19-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc Curated by ChEMBL					Assay Description Displacement of [3H]DPN from guinea pig kappa opioid receptor expressed in CHOK1 cell membranes				Bioorg Med Chem Lett 27: 2926-2930 (2017) Article DOI: 10.1016/j.bmcl.2017.04.092 BindingDB Entry DOI: 10.7270/Q2WD430K
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50242686 (CHEMBL4077003) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)c1cccc(O)c1)N2CC(=O)C1CCCCC1 |r,@@:7,TLB:9:7:3.2:16| Show InChI InChI=1S/C21H29NO2/c23-20-8-4-7-16(13-20)17-11-18-9-10-19(12-17)22(18)14-21(24)15-5-2-1-3-6-15/h4,7-8,13,15,17-19,23H,1-3,5-6,9-12,14H2/t18-,19-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc Curated by ChEMBL					Assay Description Displacement of [3H]DPN from guinea pig kappa opioid receptor expressed in CHOK1 cell membranes				Bioorg Med Chem Lett 27: 2926-2930 (2017) Article DOI: 10.1016/j.bmcl.2017.04.092 BindingDB Entry DOI: 10.7270/Q2WD430K
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50166867 (CHEMBL3798476) Show SMILES O=C(Oc1ccc(cc1)C#N)N1CCC(CC1)c1nc(cs1)C1=NOC(C1)c1ccccc1 |t:25| Show InChI InChI=1S/C26H25NO5/c1-15-4-11-21-22(12-15)25(30)27(24(21)29)20-9-7-18(8-10-20)26(31)32-14-23(28)19-6-5-16(2)17(3)13-19/h4-10,13,29-30H,11-12,14H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
E.I. Du Pont de Nemours and Company Curated by ChEMBL					Assay Description Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 assessed as enzyme ina...				Bioorg Med Chem Lett 26: 2965-2973 (2016) Article DOI: 10.1016/j.bmcl.2016.02.061 BindingDB Entry DOI: 10.7270/Q2M32XNP
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50166867 (CHEMBL3798476) Show SMILES O=C(Oc1ccc(cc1)C#N)N1CCC(CC1)c1nc(cs1)C1=NOC(C1)c1ccccc1 |t:25| Show InChI InChI=1S/C26H25NO5/c1-15-4-11-21-22(12-15)25(30)27(24(21)29)20-9-7-18(8-10-20)26(31)32-14-23(28)19-6-5-16(2)17(3)13-19/h4-10,13,29-30H,11-12,14H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
E.I. Du Pont de Nemours and Company Curated by ChEMBL					Assay Description Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate ...				Bioorg Med Chem Lett 26: 2965-2973 (2016) Article DOI: 10.1016/j.bmcl.2016.02.061 BindingDB Entry DOI: 10.7270/Q2M32XNP
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50166910 (CHEMBL3798355) Show SMILES FC(F)(F)c1ccc(OC(=O)N2CCN(CC2)c2nc(cs2)C2=NOC(C2)c2ccccc2)cc1 |t:24| Show InChI InChI=1S/C24H21F3N4O3S/c25-24(26,27)17-6-8-18(9-7-17)33-23(32)31-12-10-30(11-13-31)22-28-20(15-35-22)19-14-21(34-29-19)16-4-2-1-3-5-16/h1-9,15,21H,10-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
E.I. Du Pont de Nemours and Company Curated by ChEMBL					Assay Description Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate ...				Bioorg Med Chem Lett 26: 2965-2973 (2016) Article DOI: 10.1016/j.bmcl.2016.02.061 BindingDB Entry DOI: 10.7270/Q2M32XNP
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50166891 (CHEMBL3799008) Show SMILES O=C(Oc1cccc(c1)C#N)N1CCN(CC1)c1nc(cs1)C1=NOC(C1)c1ccccc1 |t:25| Show InChI InChI=1S/C24H21N5O3S/c25-15-17-5-4-8-19(13-17)31-24(30)29-11-9-28(10-12-29)23-26-21(16-33-23)20-14-22(32-27-20)18-6-2-1-3-7-18/h1-8,13,16,22H,9-12,14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
E.I. Du Pont de Nemours and Company Curated by ChEMBL					Assay Description Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate ...				Bioorg Med Chem Lett 26: 2965-2973 (2016) Article DOI: 10.1016/j.bmcl.2016.02.061 BindingDB Entry DOI: 10.7270/Q2M32XNP
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50166878 (CHEMBL3800599) Show SMILES Cc1ccc(OC(=O)N2CCC(CC2)c2nc(cs2)C2=NOC(C2)c2ccccc2)cc1 |t:21| Show InChI InChI=1S/C27H26N2O6/c30-24(18-5-9-20(10-6-18)28-13-15-34-16-14-28)17-35-27(33)19-7-11-21(12-8-19)29-25(31)22-3-1-2-4-23(22)26(29)32/h1-2,5-12,31-32H,3-4,13-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
E.I. Du Pont de Nemours and Company Curated by ChEMBL					Assay Description Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate ...				Bioorg Med Chem Lett 26: 2965-2973 (2016) Article DOI: 10.1016/j.bmcl.2016.02.061 BindingDB Entry DOI: 10.7270/Q2M32XNP
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50166911 (CHEMBL3799516) Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(CC2)c2nc(cs2)C2=NOC(C2)c2ccccc2)cc1 |t:23| Show InChI InChI=1S/C23H21N5O5S/c29-23(32-18-8-6-17(7-9-18)28(30)31)27-12-10-26(11-13-27)22-24-20(15-34-22)19-14-21(33-25-19)16-4-2-1-3-5-16/h1-9,15,21H,10-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
E.I. Du Pont de Nemours and Company Curated by ChEMBL					Assay Description Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate ...				Bioorg Med Chem Lett 26: 2965-2973 (2016) Article DOI: 10.1016/j.bmcl.2016.02.061 BindingDB Entry DOI: 10.7270/Q2M32XNP
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50166870 (CHEMBL3797226) Show SMILES FC(F)(F)c1ccc(OC(=O)N2CCC(CC2)c2nc(cs2)C2=NOC(C2)c2ccccc2)cc1 |t:24| Show InChI InChI=1S/C29H29NO5/c31-26(21-12-10-20(11-13-21)19-6-2-1-3-7-19)18-35-29(34)22-14-16-23(17-15-22)30-27(32)24-8-4-5-9-25(24)28(30)33/h4-5,10-17,19,32-33H,1-3,6-9,18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
E.I. Du Pont de Nemours and Company Curated by ChEMBL					Assay Description Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate ...				Bioorg Med Chem Lett 26: 2965-2973 (2016) Article DOI: 10.1016/j.bmcl.2016.02.061 BindingDB Entry DOI: 10.7270/Q2M32XNP
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50166875 (CHEMBL3797377) Show SMILES Clc1cccc(OC(=O)N2CCC(CC2)c2nc(cs2)C2=NOC(C2)c2ccccc2)c1 |t:22| Show InChI InChI=1S/C27H21NO5/c29-24(20-10-9-17-5-1-2-6-19(17)15-20)16-33-27(32)18-11-13-21(14-12-18)28-25(30)22-7-3-4-8-23(22)26(28)31/h1-6,9-15,30-31H,7-8,16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
E.I. Du Pont de Nemours and Company Curated by ChEMBL					Assay Description Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate ...				Bioorg Med Chem Lett 26: 2965-2973 (2016) Article DOI: 10.1016/j.bmcl.2016.02.061 BindingDB Entry DOI: 10.7270/Q2M32XNP
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50074960 ((R)-2-(3,4-Dimethoxy-5-propyl-phenyl)-4,5-dihydro-...) Show SMILES CCCc1cc(cc(OC)c1OC)C1=N[C@H](CO1)C(=O)NO |t:14| Show InChI InChI=1S/C15H20N2O5/c1-4-5-9-6-10(7-12(20-2)13(9)21-3)15-16-11(8-22-15)14(18)17-19/h6-7,11,19H,4-5,8H2,1-3H3,(H,17,18)/t11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.0530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Medical Center Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC				Proc Natl Acad Sci U S A 104: 18433-8 (2007) Article DOI: 10.1073/pnas.0709412104 BindingDB Entry DOI: 10.7270/Q2SB48HR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50166877 (CHEMBL3798594) Show SMILES Cc1cccc(OC(=O)N2CCC(CC2)c2nc(cs2)C2=NOC(C2)c2ccccc2)c1 |t:22| Show InChI InChI=1S/C23H23NO5/c1-14-10-21(26)24(22(27)11-14)19-8-6-17(7-9-19)23(28)29-13-20(25)18-5-4-15(2)16(3)12-18/h4-9,12,14H,10-11,13H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
E.I. Du Pont de Nemours and Company Curated by ChEMBL					Assay Description Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 assessed as enzyme ina...				Bioorg Med Chem Lett 26: 2965-2973 (2016) Article DOI: 10.1016/j.bmcl.2016.02.061 BindingDB Entry DOI: 10.7270/Q2M32XNP
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50166877 (CHEMBL3798594) Show SMILES Cc1cccc(OC(=O)N2CCC(CC2)c2nc(cs2)C2=NOC(C2)c2ccccc2)c1 |t:22| Show InChI InChI=1S/C23H23NO5/c1-14-10-21(26)24(22(27)11-14)19-8-6-17(7-9-19)23(28)29-13-20(25)18-5-4-15(2)16(3)12-18/h4-9,12,14H,10-11,13H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
E.I. Du Pont de Nemours and Company Curated by ChEMBL					Assay Description Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate ...				Bioorg Med Chem Lett 26: 2965-2973 (2016) Article DOI: 10.1016/j.bmcl.2016.02.061 BindingDB Entry DOI: 10.7270/Q2M32XNP
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50478376 (BB-78485 | CHEMBL261713) Show SMILES ONC(=O)[C@@H](Cc1ccc2ccccc2c1)NS(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C23H20N2O4S/c26-23(24-27)22(14-16-9-10-17-5-1-3-7-19(17)13-16)25-30(28,29)21-12-11-18-6-2-4-8-20(18)15-21/h1-13,15,22,25,27H,14H2,(H,24,26)/t22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	0.0690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Medical Center Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC				Proc Natl Acad Sci U S A 104: 18433-8 (2007) Article DOI: 10.1073/pnas.0709412104 BindingDB Entry DOI: 10.7270/Q2SB48HR
					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50478376 (BB-78485 | CHEMBL261713) Show SMILES ONC(=O)[C@@H](Cc1ccc2ccccc2c1)NS(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C23H20N2O4S/c26-23(24-27)22(14-16-9-10-17-5-1-3-7-19(17)13-16)25-30(28,29)21-12-11-18-6-2-4-8-20(18)15-21/h1-13,15,22,25,27H,14H2,(H,24,26)/t22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	0.0860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Medical Center Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC Q202W/G210S mutant				Proc Natl Acad Sci U S A 104: 18433-8 (2007) Article DOI: 10.1073/pnas.0709412104 BindingDB Entry DOI: 10.7270/Q2SB48HR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM292127 (US10100049, Example 4-2 | US11299492, Example 4-2 ...) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(C[C@H]3CCCN3)CCc2[nH]1 |r| Show InChI InChI=1S/C26H27FN6O/c1-2-15-11-24(34)20(27)12-19(15)16-5-6-18-22(10-16)31-32-25(18)26-29-21-7-9-33(14-23(21)30-26)13-17-4-3-8-28-17/h5-6,10-12,17,28,34H,2-4,7-9,13-14H2,1H3/b26-25+/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
THERAVANCE BIOPHARMA R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAKL 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% ...				US Patent US10100049 (2018) BindingDB Entry DOI: 10.7270/Q27M09Z8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM292127 (US10100049, Example 4-2 | US11299492, Example 4-2 ...) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(C[C@H]3CCCN3)CCc2[nH]1 |r| Show InChI InChI=1S/C26H27FN6O/c1-2-15-11-24(34)20(27)12-19(15)16-5-6-18-22(10-16)31-32-25(18)26-29-21-7-9-33(14-23(21)30-26)13-17-4-3-8-28-17/h5-6,10-12,17,28,34H,2-4,7-9,13-14H2,1H3/b26-25+/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
THERAVANCE BIOPHARMA R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAKL 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% ...				US Patent US10100049 (2018) BindingDB Entry DOI: 10.7270/Q27M09Z8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM292127 (US10100049, Example 4-2 | US11299492, Example 4-2 ...) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(C[C@H]3CCCN3)CCc2[nH]1 |r| Show InChI InChI=1S/C26H27FN6O/c1-2-15-11-24(34)20(27)12-19(15)16-5-6-18-22(10-16)31-32-25(18)26-29-21-7-9-33(14-23(21)30-26)13-17-4-3-8-28-17/h5-6,10-12,17,28,34H,2-4,7-9,13-14H2,1H3/b26-25+/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
THERAVANCE BIOPHARMA R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAKL 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% ...				US Patent US10100049 (2018) BindingDB Entry DOI: 10.7270/Q27M09Z8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM292119 (US10100049, Example 16 | US10100049, Example 7-3 |...) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCN3CCCC3)CCc2[nH]1 Show InChI InChI=1S/C27H31FN6O/c1-2-17-14-25(35)21(28)15-20(17)18-5-6-19-23(13-18)31-32-26(19)27-29-22-7-10-34(16-24(22)30-27)12-11-33-8-3-4-9-33/h5-6,13-15,35H,2-4,7-12,16H2,1H3,(H,29,30)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
THERAVANCE BIOPHARMA R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAKL 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% ...				US Patent US10100049 (2018) BindingDB Entry DOI: 10.7270/Q27M09Z8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM292119 (US10100049, Example 16 | US10100049, Example 7-3 |...) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCN3CCCC3)CCc2[nH]1 Show InChI InChI=1S/C27H31FN6O/c1-2-17-14-25(35)21(28)15-20(17)18-5-6-19-23(13-18)31-32-26(19)27-29-22-7-10-34(16-24(22)30-27)12-11-33-8-3-4-9-33/h5-6,13-15,35H,2-4,7-12,16H2,1H3,(H,29,30)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
THERAVANCE BIOPHARMA R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAKL 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% ...				US Patent US10100049 (2018) BindingDB Entry DOI: 10.7270/Q27M09Z8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM292119 (US10100049, Example 16 | US10100049, Example 7-3 |...) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCN3CCCC3)CCc2[nH]1 Show InChI InChI=1S/C27H31FN6O/c1-2-17-14-25(35)21(28)15-20(17)18-5-6-19-23(13-18)31-32-26(19)27-29-22-7-10-34(16-24(22)30-27)12-11-33-8-3-4-9-33/h5-6,13-15,35H,2-4,7-12,16H2,1H3,(H,29,30)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
THERAVANCE BIOPHARMA R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAKL 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% ...				US Patent US10100049 (2018) BindingDB Entry DOI: 10.7270/Q27M09Z8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM292129 (US10100049, Example 9-1 | US11299492, Example 9-1 ...) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CCNC1 Show InChI InChI=1S/C25H25FN6O/c1-2-14-10-23(33)19(26)11-18(14)15-3-4-17-21(9-15)30-31-24(17)25-28-20-6-8-32(13-22(20)29-25)16-5-7-27-12-16/h3-4,9-11,16,27,33H,2,5-8,12-13H2,1H3/b25-24+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
THERAVANCE BIOPHARMA R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAKL 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% ...				US Patent US10100049 (2018) BindingDB Entry DOI: 10.7270/Q27M09Z8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM292129 (US10100049, Example 9-1 | US11299492, Example 9-1 ...) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CCNC1 Show InChI InChI=1S/C25H25FN6O/c1-2-14-10-23(33)19(26)11-18(14)15-3-4-17-21(9-15)30-31-24(17)25-28-20-6-8-32(13-22(20)29-25)16-5-7-27-12-16/h3-4,9-11,16,27,33H,2,5-8,12-13H2,1H3/b25-24+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
THERAVANCE BIOPHARMA R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAKL 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% ...				US Patent US10100049 (2018) BindingDB Entry DOI: 10.7270/Q27M09Z8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM292104 (US10100049, Example 1 | US10183942, Example 1-8 | ...) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CN(C)C1 Show InChI InChI=1S/C25H27FN6O/c1-3-14-9-23(33)19(26)10-18(14)15-4-5-17-21(8-15)29-30-24(17)25-27-20-6-7-32(13-22(20)28-25)16-11-31(2)12-16/h4-5,8-10,16,33H,3,6-7,11-13H2,1-2H3,(H,27,28)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
THERAVANCE BIOPHARMA R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAKL 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% ...				US Patent US10100049 (2018) BindingDB Entry DOI: 10.7270/Q27M09Z8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM292104 (US10100049, Example 1 | US10183942, Example 1-8 | ...) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CN(C)C1 Show InChI InChI=1S/C25H27FN6O/c1-3-14-9-23(33)19(26)10-18(14)15-4-5-17-21(8-15)29-30-24(17)25-27-20-6-7-32(13-22(20)28-25)16-11-31(2)12-16/h4-5,8-10,16,33H,3,6-7,11-13H2,1-2H3,(H,27,28)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
THERAVANCE BIOPHARMA R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAKL 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% ...				US Patent US10100049 (2018) BindingDB Entry DOI: 10.7270/Q27M09Z8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM292104 (US10100049, Example 1 | US10183942, Example 1-8 | ...) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CN(C)C1 Show InChI InChI=1S/C25H27FN6O/c1-3-14-9-23(33)19(26)10-18(14)15-4-5-17-21(8-15)29-30-24(17)25-27-20-6-7-32(13-22(20)28-25)16-11-31(2)12-16/h4-5,8-10,16,33H,3,6-7,11-13H2,1-2H3,(H,27,28)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
THERAVANCE BIOPHARMA R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAKL 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% ...				US Patent US10100049 (2018) BindingDB Entry DOI: 10.7270/Q27M09Z8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM292105 (US10100049, Example 2 | US10183942, Example 2-3 | ...) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CNC1 Show InChI InChI=1S/C24H25FN6O/c1-2-13-8-22(32)18(25)9-17(13)14-3-4-16-20(7-14)29-30-23(16)24-27-19-5-6-31(12-21(19)28-24)15-10-26-11-15/h3-4,7-9,15,26,32H,2,5-6,10-12H2,1H3,(H,27,28)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
THERAVANCE BIOPHARMA R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAKL 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% ...				US Patent US10100049 (2018) BindingDB Entry DOI: 10.7270/Q27M09Z8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM292105 (US10100049, Example 2 | US10183942, Example 2-3 | ...) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CNC1 Show InChI InChI=1S/C24H25FN6O/c1-2-13-8-22(32)18(25)9-17(13)14-3-4-16-20(7-14)29-30-23(16)24-27-19-5-6-31(12-21(19)28-24)15-10-26-11-15/h3-4,7-9,15,26,32H,2,5-6,10-12H2,1H3,(H,27,28)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
THERAVANCE BIOPHARMA R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAKL 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% ...				US Patent US10100049 (2018) BindingDB Entry DOI: 10.7270/Q27M09Z8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM292106 (US10100049, Example 3 | US10526330, Example 3 | US...) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CN(C1)C(C)C Show InChI InChI=1S/C27H31FN6O/c1-4-16-10-25(35)21(28)11-20(16)17-5-6-19-23(9-17)31-32-26(19)27-29-22-7-8-33(14-24(22)30-27)18-12-34(13-18)15(2)3/h5-6,9-11,15,18,35H,4,7-8,12-14H2,1-3H3,(H,29,30)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
THERAVANCE BIOPHARMA R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAKL 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% ...				US Patent US10100049 (2018) BindingDB Entry DOI: 10.7270/Q27M09Z8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM292106 (US10100049, Example 3 | US10526330, Example 3 | US...) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CN(C1)C(C)C Show InChI InChI=1S/C27H31FN6O/c1-4-16-10-25(35)21(28)11-20(16)17-5-6-19-23(9-17)31-32-26(19)27-29-22-7-8-33(14-24(22)30-27)18-12-34(13-18)15(2)3/h5-6,9-11,15,18,35H,4,7-8,12-14H2,1-3H3,(H,29,30)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
THERAVANCE BIOPHARMA R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAKL 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% ...				US Patent US10100049 (2018) BindingDB Entry DOI: 10.7270/Q27M09Z8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM292107 (US10100049, Example 4 | US10183942, Example 4-2 | ...) Show SMILES CCC(C)N1CC(C1)N1CCc2[nH]c(nc2C1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC Show InChI InChI=1S/C28H31FN6O/c1-4-16(3)35-13-19(14-35)34-9-8-23-25(15-34)31-28(30-23)27-20-7-6-18(10-24(20)32-33-27)21-12-22(29)26(36)11-17(21)5-2/h6-7,10-12,16,19,36H,4-5,8-9,13-15H2,1-3H3/b28-27+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
THERAVANCE BIOPHARMA R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAKL 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% ...				US Patent US10100049 (2018) BindingDB Entry DOI: 10.7270/Q27M09Z8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM292107 (US10100049, Example 4 | US10183942, Example 4-2 | ...) Show SMILES CCC(C)N1CC(C1)N1CCc2[nH]c(nc2C1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC Show InChI InChI=1S/C28H31FN6O/c1-4-16(3)35-13-19(14-35)34-9-8-23-25(15-34)31-28(30-23)27-20-7-6-18(10-24(20)32-33-27)21-12-22(29)26(36)11-17(21)5-2/h6-7,10-12,16,19,36H,4-5,8-9,13-15H2,1-3H3/b28-27+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
THERAVANCE BIOPHARMA R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAKL 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% ...				US Patent US10100049 (2018) BindingDB Entry DOI: 10.7270/Q27M09Z8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM292108 (US10100049, Example 5 | US10183942, Example 5 | US...) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CN(C1)C1CC1 Show InChI InChI=1S/C27H29FN6O/c1-2-15-10-25(35)21(28)11-20(15)16-3-6-19-23(9-16)31-32-26(19)27-29-22-7-8-33(14-24(22)30-27)18-12-34(13-18)17-4-5-17/h3,6,9-11,17-18,35H,2,4-5,7-8,12-14H2,1H3,(H,29,30)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
THERAVANCE BIOPHARMA R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAKL 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% ...				US Patent US10100049 (2018) BindingDB Entry DOI: 10.7270/Q27M09Z8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM292108 (US10100049, Example 5 | US10183942, Example 5 | US...) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CN(C1)C1CC1 Show InChI InChI=1S/C27H29FN6O/c1-2-15-10-25(35)21(28)11-20(15)16-3-6-19-23(9-16)31-32-26(19)27-29-22-7-8-33(14-24(22)30-27)18-12-34(13-18)17-4-5-17/h3,6,9-11,17-18,35H,2,4-5,7-8,12-14H2,1H3,(H,29,30)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
THERAVANCE BIOPHARMA R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAKL 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% ...				US Patent US10100049 (2018) BindingDB Entry DOI: 10.7270/Q27M09Z8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM292109 (US10100049, Example 6 | US10183942, Example 6 | US...) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CCN(C)CC1 Show InChI InChI=1S/C27H31FN6O/c1-3-16-13-25(35)21(28)14-20(16)17-4-5-19-23(12-17)31-32-26(19)27-29-22-8-11-34(15-24(22)30-27)18-6-9-33(2)10-7-18/h4-5,12-14,18,35H,3,6-11,15H2,1-2H3,(H,29,30)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
THERAVANCE BIOPHARMA R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAKL 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% ...				US Patent US10100049 (2018) BindingDB Entry DOI: 10.7270/Q27M09Z8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM292109 (US10100049, Example 6 | US10183942, Example 6 | US...) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CCN(C)CC1 Show InChI InChI=1S/C27H31FN6O/c1-3-16-13-25(35)21(28)14-20(16)17-4-5-19-23(12-17)31-32-26(19)27-29-22-8-11-34(15-24(22)30-27)18-6-9-33(2)10-7-18/h4-5,12-14,18,35H,3,6-11,15H2,1-2H3,(H,29,30)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
THERAVANCE BIOPHARMA R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAKL 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% ...				US Patent US10100049 (2018) BindingDB Entry DOI: 10.7270/Q27M09Z8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM292110 (US10100049, Example 7 | US10183942, Example 7-3 | ...) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCN(C)C)CCc2[nH]1 Show InChI InChI=1S/C25H29FN6O/c1-4-15-12-23(33)19(26)13-18(15)16-5-6-17-21(11-16)29-30-24(17)25-27-20-7-8-32(10-9-31(2)3)14-22(20)28-25/h5-6,11-13,33H,4,7-10,14H2,1-3H3,(H,27,28)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
THERAVANCE BIOPHARMA R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAKL 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% ...				US Patent US10100049 (2018) BindingDB Entry DOI: 10.7270/Q27M09Z8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM292110 (US10100049, Example 7 | US10183942, Example 7-3 | ...) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCN(C)C)CCc2[nH]1 Show InChI InChI=1S/C25H29FN6O/c1-4-15-12-23(33)19(26)13-18(15)16-5-6-17-21(11-16)29-30-24(17)25-27-20-7-8-32(10-9-31(2)3)14-22(20)28-25/h5-6,11-13,33H,4,7-10,14H2,1-3H3,(H,27,28)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
THERAVANCE BIOPHARMA R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAKL 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% ...				US Patent US10100049 (2018) BindingDB Entry DOI: 10.7270/Q27M09Z8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM292111 (US10100049, Example 8 | US10183942, Example 8 | US...) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCNC3CC(C3)OC)CCc2[nH]1 |(-11.45,-2.63,;-10.11,-1.86,;-10.11,-.32,;-11.45,.45,;-11.45,1.99,;-12.78,2.76,;-10.11,2.76,;-10.11,4.3,;-8.78,1.99,;-8.78,.45,;-7.44,-.32,;-6.11,.45,;-4.78,-.32,;-4.78,-1.86,;-3.63,-2.89,;-4.26,-4.3,;-5.79,-4.14,;-6.11,-2.63,;-7.44,-1.86,;-2.15,-2.49,;-1.24,-1.25,;.22,-1.72,;1.56,-.95,;2.89,-1.72,;4.23,-.95,;5.56,-1.72,;6.89,-.95,;8.23,-1.72,;8.62,-3.21,;10.11,-2.81,;9.71,-1.32,;11.45,-3.58,;12.78,-2.81,;2.89,-3.26,;1.56,-4.03,;.22,-3.26,;-1.24,-3.74,)| Show InChI InChI=1S/C28H33FN6O2/c1-3-16-11-26(36)22(29)14-21(16)17-4-5-20-24(10-17)33-34-27(20)28-31-23-6-8-35(15-25(23)32-28)9-7-30-18-12-19(13-18)37-2/h4-5,10-11,14,18-19,30,36H,3,6-9,12-13,15H2,1-2H3,(H,31,32)(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
THERAVANCE BIOPHARMA R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAKL 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% ...				US Patent US10100049 (2018) BindingDB Entry DOI: 10.7270/Q27M09Z8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM292111 (US10100049, Example 8 | US10183942, Example 8 | US...) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCNC3CC(C3)OC)CCc2[nH]1 |(-11.45,-2.63,;-10.11,-1.86,;-10.11,-.32,;-11.45,.45,;-11.45,1.99,;-12.78,2.76,;-10.11,2.76,;-10.11,4.3,;-8.78,1.99,;-8.78,.45,;-7.44,-.32,;-6.11,.45,;-4.78,-.32,;-4.78,-1.86,;-3.63,-2.89,;-4.26,-4.3,;-5.79,-4.14,;-6.11,-2.63,;-7.44,-1.86,;-2.15,-2.49,;-1.24,-1.25,;.22,-1.72,;1.56,-.95,;2.89,-1.72,;4.23,-.95,;5.56,-1.72,;6.89,-.95,;8.23,-1.72,;8.62,-3.21,;10.11,-2.81,;9.71,-1.32,;11.45,-3.58,;12.78,-2.81,;2.89,-3.26,;1.56,-4.03,;.22,-3.26,;-1.24,-3.74,)| Show InChI InChI=1S/C28H33FN6O2/c1-3-16-11-26(36)22(29)14-21(16)17-4-5-20-24(10-17)33-34-27(20)28-31-23-6-8-35(15-25(23)32-28)9-7-30-18-12-19(13-18)37-2/h4-5,10-11,14,18-19,30,36H,3,6-9,12-13,15H2,1-2H3,(H,31,32)(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
THERAVANCE BIOPHARMA R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAKL 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% ...				US Patent US10100049 (2018) BindingDB Entry DOI: 10.7270/Q27M09Z8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM292112 (US10100049, Example 9 | US10183942, Example 9-2 | ...) Show SMILES CCN(C)CCN1CCc2[nH]c(nc2C1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC Show InChI InChI=1S/C26H31FN6O/c1-4-16-13-24(34)20(27)14-19(16)17-6-7-18-22(12-17)30-31-25(18)26-28-21-8-9-33(15-23(21)29-26)11-10-32(3)5-2/h6-7,12-14,34H,4-5,8-11,15H2,1-3H3,(H,28,29)(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
THERAVANCE BIOPHARMA R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAKL 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% ...				US Patent US10100049 (2018) BindingDB Entry DOI: 10.7270/Q27M09Z8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM292112 (US10100049, Example 9 | US10183942, Example 9-2 | ...) Show SMILES CCN(C)CCN1CCc2[nH]c(nc2C1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC Show InChI InChI=1S/C26H31FN6O/c1-4-16-13-24(34)20(27)14-19(16)17-6-7-18-22(12-17)30-31-25(18)26-28-21-8-9-33(15-23(21)29-26)11-10-32(3)5-2/h6-7,12-14,34H,4-5,8-11,15H2,1-3H3,(H,28,29)(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
THERAVANCE BIOPHARMA R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAKL 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% ...				US Patent US10100049 (2018) BindingDB Entry DOI: 10.7270/Q27M09Z8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM292113 (US10100049, Example 10 | US10183942, Example 10 | ...) Show SMILES CCC(C)N(C)CCN1CCc2[nH]c(nc2C1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC Show InChI InChI=1S/C28H33FN6O/c1-5-17(3)34(4)11-12-35-10-9-23-25(16-35)31-28(30-23)27-20-8-7-19(13-24(20)32-33-27)21-15-22(29)26(36)14-18(21)6-2/h7-8,13-15,17,36H,5-6,9-12,16H2,1-4H3/b28-27+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
THERAVANCE BIOPHARMA R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAKL 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% ...				US Patent US10100049 (2018) BindingDB Entry DOI: 10.7270/Q27M09Z8
					More data for this Ligand-Target Pair

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