Compile Data Set for Download or QSAR

Found 23490 hits with Last Name = 'she' and Initial = 'm'   

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
Cathepsin K (Homo sapiens (Human))	BDBM50167296 ((1S)-2-cyclohexyl-1-methylethyl 2-cyano-2-ethylhyd...) Show SMILES CCN(NC(=O)O[C@@H](C)CC1CCCCC1)C#N Show InChI InChI=1S/C13H23N3O2/c1-3-16(10-14)15-13(17)18-11(2)9-12-7-5-4-6-8-12/h11-12H,3-9H2,1-2H3,(H,15,17)/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition constant against human cathepsin K in fluorescence assay using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 15: 3039-43 (2005) Article DOI: 10.1016/j.bmcl.2005.04.032 BindingDB Entry DOI: 10.7270/Q2MS3S8C
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50167295 ((1S)-2-cyclohexyl-1-methylethyl 2-cyano-2-propylhy...) Show SMILES CCCN(NC(=O)O[C@@H](C)CC1CCCCC1)C#N Show InChI InChI=1S/C14H25N3O2/c1-3-9-17(11-15)16-14(18)19-12(2)10-13-7-5-4-6-8-13/h12-13H,3-10H2,1-2H3,(H,16,18)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition constant against human cathepsin K in fluorescence assay using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 15: 3039-43 (2005) Article DOI: 10.1016/j.bmcl.2005.04.032 BindingDB Entry DOI: 10.7270/Q2MS3S8C
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50167302 ((1S)-2-cyclohexyl-1-methylethyl 2-cyano-2-isobutyl...) Show SMILES CC(C)CN(NC(=O)O[C@@H](C)CC1CCCCC1)C#N Show InChI InChI=1S/C15H27N3O2/c1-12(2)10-18(11-16)17-15(19)20-13(3)9-14-7-5-4-6-8-14/h12-14H,4-10H2,1-3H3,(H,17,19)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition constant against human cathepsin K in fluorescence assay using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 15: 3039-43 (2005) Article DOI: 10.1016/j.bmcl.2005.04.032 BindingDB Entry DOI: 10.7270/Q2MS3S8C
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50167298 ((1S)-2-cyclohexyl-1-methylethyl 2-benzyl-2-cyanohy...) Show SMILES C[C@@H](CC1CCCCC1)OC(=O)NN(Cc1ccccc1)C#N Show InChI InChI=1S/C18H25N3O2/c1-15(12-16-8-4-2-5-9-16)23-18(22)20-21(14-19)13-17-10-6-3-7-11-17/h3,6-7,10-11,15-16H,2,4-5,8-9,12-13H2,1H3,(H,20,22)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.00600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition constant against human cathepsin K in fluorescence assay using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 15: 3039-43 (2005) Article DOI: 10.1016/j.bmcl.2005.04.032 BindingDB Entry DOI: 10.7270/Q2MS3S8C
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50167303 ((1S)-2-cyclohexyl-1-methylethyl 2-butyl-2-cyanohyd...) Show SMILES CCCCN(NC(=O)O[C@@H](C)CC1CCCCC1)C#N Show InChI InChI=1S/C15H27N3O2/c1-3-4-10-18(12-16)17-15(19)20-13(2)11-14-8-6-5-7-9-14/h13-14H,3-11H2,1-2H3,(H,17,19)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition constant against human cathepsin K in fluorescence assay using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 15: 3039-43 (2005) Article DOI: 10.1016/j.bmcl.2005.04.032 BindingDB Entry DOI: 10.7270/Q2MS3S8C
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50167289 ((1S)-2-cyclohexyl-1-methylethyl 2-cyano-2-methylhy...) Show SMILES C[C@@H](CC1CCCCC1)OC(=O)NN(C)C#N Show InChI InChI=1S/C12H21N3O2/c1-10(8-11-6-4-3-5-7-11)17-12(16)14-15(2)9-13/h10-11H,3-8H2,1-2H3,(H,14,16)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition constant against human cathepsin K in fluorescence assay using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 15: 3039-43 (2005) Article DOI: 10.1016/j.bmcl.2005.04.032 BindingDB Entry DOI: 10.7270/Q2MS3S8C
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50325767 (3-(2'-chlorobiphenyl-3-yl)-1H-pyrazole-1-carboxami...) Show SMILES NC(=O)n1ccc(n1)-c1cccc(c1)-c1ccccc1Cl Show InChI InChI=1S/C16H12ClN3O/c17-14-7-2-1-6-13(14)11-4-3-5-12(10-11)15-8-9-20(19-15)16(18)21/h1-10H,(H2,18,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Nav 1.7 channel by electrophysiology				Bioorg Med Chem Lett 20: 5480-3 (2010) Article DOI: 10.1016/j.bmcl.2010.07.080 BindingDB Entry DOI: 10.7270/Q2PV6KJX
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50167290 ((1S)-2-cyclohexyl-1-methylethyl 2-cyano-2-isopropy...) Show SMILES C[C@@H](CC1CCCCC1)OC(=O)NN(C#N)C(C)C Show InChI InChI=1S/C14H25N3O2/c1-11(2)17(10-15)16-14(18)19-12(3)9-13-7-5-4-6-8-13/h11-13H,4-9H2,1-3H3,(H,16,18)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition constant against human cathepsin K in fluorescence assay using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 15: 3039-43 (2005) Article DOI: 10.1016/j.bmcl.2005.04.032 BindingDB Entry DOI: 10.7270/Q2MS3S8C
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50167289 ((1S)-2-cyclohexyl-1-methylethyl 2-cyano-2-methylhy...) Show SMILES C[C@@H](CC1CCCCC1)OC(=O)NN(C)C#N Show InChI InChI=1S/C12H21N3O2/c1-10(8-11-6-4-3-5-7-11)17-12(16)14-15(2)9-13/h10-11H,3-8H2,1-2H3,(H,14,16)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition constant against human cathepsin L using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 15: 3039-43 (2005) Article DOI: 10.1016/j.bmcl.2005.04.032 BindingDB Entry DOI: 10.7270/Q2MS3S8C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50085666 ((2S,3S,4R,5R)-5-{6-(2,2-Diphenyl-ethylamino)-2-[2-...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCc3cnc[nH]3)nc12 Show InChI InChI=1S/C31H35N9O4/c1-2-33-29(43)26-24(41)25(42)30(44-26)40-18-37-23-27(38-31(39-28(23)40)34-14-13-21-15-32-17-36-21)35-16-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,15,17-18,22,24-26,30,41-42H,2,13-14,16H2,1H3,(H,32,36)(H,33,43)(H2,34,35,38,39)/t24-,25+,26-,30+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibition of human neutrophil activation via Adenosine A2A receptor.				Bioorg Med Chem Lett 10: 403-6 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G2K
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50521464 (CHEMBL4469869 | US11596639, Example 78) Show SMILES C[C@@H]1CN(c2cn(C)c3ccc(cc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(56.68,-29.59,;57.58,-30.84,;59.12,-30.68,;60.03,-31.93,;61.56,-31.92,;62.47,-30.67,;63.93,-31.14,;65.17,-30.23,;63.94,-32.67,;65.08,-33.69,;64.77,-35.19,;63.31,-35.68,;62.16,-34.65,;62.48,-33.15,;63,-37.18,;64.15,-38.21,;61.54,-37.67,;59.4,-33.33,;60.3,-34.58,;57.87,-33.49,;56.97,-34.74,;56.95,-36.28,;58.28,-37.06,;58.26,-38.6,;59.59,-39.38,;59.57,-40.92,;60.89,-41.7,;60.89,-43.23,;62.22,-44.01,;59.54,-44,;59.53,-45.54,;58.21,-43.21,;56.87,-43.97,;58.23,-41.67,;55.5,-34.27,;54.17,-35.04,;52.83,-34.27,;52.83,-32.73,;51.5,-31.96,;54.16,-31.96,;54.15,-29.06,;52.9,-28.16,;51.44,-28.64,;53.37,-26.7,;54.91,-26.69,;55.82,-25.44,;55.39,-28.15,;56.86,-28.63,;55.5,-32.72,;56.96,-32.25,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-20-15-26(16-21(2)35(20)41)50-14-8-9-27-28-11-12-30(40)34(33-23(4)42-44(7)24(33)5)36(28)46-22(3)18-45(38(47)37(27)46)32-19-43(6)31-13-10-25(39(48)49)17-29(31)32/h10-13,15-17,19,22H,8-9,14,18H2,1-7H3,(H,48,49)/t22-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of FITC-labeled Bak peptide binding to MBP-fused Mcl-1 (unknown origin) measured after 3 hrs by TR-FRET assay				J Med Chem 62: 3971-3988 (2019) Article DOI: 10.1021/acs.jmedchem.8b01991 BindingDB Entry DOI: 10.7270/Q2V69P04
					More data for this Ligand-Target Pair				3D Structure (crystal)
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50521464 (CHEMBL4469869 | US11596639, Example 78) Show SMILES C[C@@H]1CN(c2cn(C)c3ccc(cc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(56.68,-29.59,;57.58,-30.84,;59.12,-30.68,;60.03,-31.93,;61.56,-31.92,;62.47,-30.67,;63.93,-31.14,;65.17,-30.23,;63.94,-32.67,;65.08,-33.69,;64.77,-35.19,;63.31,-35.68,;62.16,-34.65,;62.48,-33.15,;63,-37.18,;64.15,-38.21,;61.54,-37.67,;59.4,-33.33,;60.3,-34.58,;57.87,-33.49,;56.97,-34.74,;56.95,-36.28,;58.28,-37.06,;58.26,-38.6,;59.59,-39.38,;59.57,-40.92,;60.89,-41.7,;60.89,-43.23,;62.22,-44.01,;59.54,-44,;59.53,-45.54,;58.21,-43.21,;56.87,-43.97,;58.23,-41.67,;55.5,-34.27,;54.17,-35.04,;52.83,-34.27,;52.83,-32.73,;51.5,-31.96,;54.16,-31.96,;54.15,-29.06,;52.9,-28.16,;51.44,-28.64,;53.37,-26.7,;54.91,-26.69,;55.82,-25.44,;55.39,-28.15,;56.86,-28.63,;55.5,-32.72,;56.96,-32.25,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-20-15-26(16-21(2)35(20)41)50-14-8-9-27-28-11-12-30(40)34(33-23(4)42-44(7)24(33)5)36(28)46-22(3)18-45(38(47)37(27)46)32-19-43(6)31-13-10-25(39(48)49)17-29(31)32/h10-13,15-17,19,22H,8-9,14,18H2,1-7H3,(H,48,49)/t22-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of FITC-labeled Bak peptide binding to MBP-fused Mcl-1 (unknown origin) measured after 3 hrs by TR-FRET assay				J Med Chem 62: 3971-3988 (2019) Article DOI: 10.1021/acs.jmedchem.8b01991 BindingDB Entry DOI: 10.7270/Q2V69P04
					More data for this Ligand-Target Pair				3D Structure (crystal)
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50521464 (CHEMBL4469869 | US11596639, Example 78) Show SMILES C[C@@H]1CN(c2cn(C)c3ccc(cc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(56.68,-29.59,;57.58,-30.84,;59.12,-30.68,;60.03,-31.93,;61.56,-31.92,;62.47,-30.67,;63.93,-31.14,;65.17,-30.23,;63.94,-32.67,;65.08,-33.69,;64.77,-35.19,;63.31,-35.68,;62.16,-34.65,;62.48,-33.15,;63,-37.18,;64.15,-38.21,;61.54,-37.67,;59.4,-33.33,;60.3,-34.58,;57.87,-33.49,;56.97,-34.74,;56.95,-36.28,;58.28,-37.06,;58.26,-38.6,;59.59,-39.38,;59.57,-40.92,;60.89,-41.7,;60.89,-43.23,;62.22,-44.01,;59.54,-44,;59.53,-45.54,;58.21,-43.21,;56.87,-43.97,;58.23,-41.67,;55.5,-34.27,;54.17,-35.04,;52.83,-34.27,;52.83,-32.73,;51.5,-31.96,;54.16,-31.96,;54.15,-29.06,;52.9,-28.16,;51.44,-28.64,;53.37,-26.7,;54.91,-26.69,;55.82,-25.44,;55.39,-28.15,;56.86,-28.63,;55.5,-32.72,;56.96,-32.25,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-20-15-26(16-21(2)35(20)41)50-14-8-9-27-28-11-12-30(40)34(33-23(4)42-44(7)24(33)5)36(28)46-22(3)18-45(38(47)37(27)46)32-19-43(6)31-13-10-25(39(48)49)17-29(31)32/h10-13,15-17,19,22H,8-9,14,18H2,1-7H3,(H,48,49)/t22-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of FITC-labeled Bak peptide binding to MBP-fused Mcl-1 (unknown origin) measured after 3 hrs by TR-FRET assay				J Med Chem 62: 3971-3988 (2019) Article DOI: 10.1021/acs.jmedchem.8b01991 BindingDB Entry DOI: 10.7270/Q2V69P04
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin K (Homo sapiens (Human))	BDBM50167288 ((1S)-1-benzylpropyl 2-cyano-2-methylhydrazinecarbo...) Show SMILES CC[C@@H](Cc1ccccc1)OC(=O)NN(C)C#N Show InChI InChI=1S/C13H17N3O2/c1-3-12(9-11-7-5-4-6-8-11)18-13(17)15-16(2)10-14/h4-8,12H,3,9H2,1-2H3,(H,15,17)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.0320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition constant against human cathepsin K in fluorescence assay using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 15: 3039-43 (2005) Article DOI: 10.1016/j.bmcl.2005.04.032 BindingDB Entry DOI: 10.7270/Q2MS3S8C
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50167288 ((1S)-1-benzylpropyl 2-cyano-2-methylhydrazinecarbo...) Show SMILES CC[C@@H](Cc1ccccc1)OC(=O)NN(C)C#N Show InChI InChI=1S/C13H17N3O2/c1-3-12(9-11-7-5-4-6-8-11)18-13(17)15-16(2)10-14/h4-8,12H,3,9H2,1-2H3,(H,15,17)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.0360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition constant against human cathepsin L using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 15: 3039-43 (2005) Article DOI: 10.1016/j.bmcl.2005.04.032 BindingDB Entry DOI: 10.7270/Q2MS3S8C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM166333 (US9067949, 190) Show SMILES COc1cc(cc2c3CNCCc3oc12)S(=O)(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C18H16ClNO4S/c1-23-17-9-13(25(21,22)12-4-2-3-11(19)7-12)8-14-15-10-20-6-5-16(15)24-18(14)17/h2-4,7-9,20H,5-6,10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0500	-58.8	n/a	n/a	n/a	n/a	n/a	7.5	25
Albany Molecular Research, Inc. US Patent					Assay Description For binding analysis vs. the human receptor, samples were incubated in 50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1 mM EDTA (4% DMSO final) with 10 nM [N-me...				US Patent US9067949 (2015) BindingDB Entry DOI: 10.7270/Q23777FB
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM463596 (US10781204, Compound I-194 | US10781204, Compound ...) Show SMILES OC1CCN(C1)c1ccn(n1)-c1cc(nc2CNC(=O)c12)-c1c(F)cccc1C#N Show InChI InChI=1S/C21H17FN6O2/c22-14-3-1-2-12(9-23)19(14)15-8-17(20-16(25-15)10-24-21(20)30)28-7-5-18(26-28)27-6-4-13(29)11-27/h1-3,5,7-8,13,29H,4,6,10-11H2,(H,24,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nimbus Lakshmi, Inc. US Patent					Assay Description The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics tech...				US Patent US10781204 (2020) BindingDB Entry DOI: 10.7270/Q21G0Q9G
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50085674 ((2S,3S,4R,5R)-5-[2-(4-Amino-cyclohexylamino)-6-(2,...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |wU:7.12,5.4,35.37,wD:8.8,10.11,38.41,(-2.14,-10.42,;-1.05,-9.34,;-1.45,-7.85,;-.35,-6.77,;-.7,-5.26,;1.12,-7.24,;2.36,-6.34,;3.6,-7.24,;3.12,-8.72,;4.04,-9.95,;1.59,-8.72,;.69,-9.95,;3.38,-4.67,;4.3,-3.42,;3.38,-2.18,;1.92,-2.66,;.59,-1.89,;.57,-.35,;1.92,.42,;1.89,1.96,;3.23,2.73,;4.55,1.96,;5.89,2.73,;5.89,4.28,;4.53,5.03,;3.21,4.26,;.57,2.71,;.57,4.26,;-.77,5.01,;-2.1,4.24,;-2.09,2.7,;-.77,1.93,;-.75,-2.66,;-.75,-4.22,;-2.09,-4.98,;-2.87,-3.64,;-4.41,-3.66,;-5.2,-2.31,;-4.42,-.95,;-5.2,.37,;-2.87,-.95,;-2.09,-2.29,;.59,-4.98,;1.92,-4.2,)| Show InChI InChI=1S/C32H40N8O4/c1-2-34-30(43)27-25(41)26(42)31(44-27)40-18-36-24-28(38-32(39-29(24)40)37-22-15-13-21(33)14-16-22)35-17-23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18,21-23,25-27,31,41-42H,2,13-17,33H2,1H3,(H,34,43)(H2,35,37,38,39)/t21-,22-,25-,26+,27-,31+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibition of human neutrophil activation via Adenosine A2A receptor.				Bioorg Med Chem Lett 10: 403-6 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G2K
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM463736 (US10781204, Compound I-213 | US10781204, Compound ...) Show SMILES CO[C@@H]1CCN(C[C@]1(C)O)c1ccn(n1)-c1cc(nc2CNC(=O)c12)-c1c(F)cccc1C#N |r| Show InChI InChI=1S/C24H23FN6O3/c1-24(33)13-30(8-6-19(24)34-2)20-7-9-31(29-20)18-10-16(28-17-12-27-23(32)22(17)18)21-14(11-26)4-3-5-15(21)25/h3-5,7,9-10,19,33H,6,8,12-13H2,1-2H3,(H,27,32)/t19-,24+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Peptide substrate, [KKSRGDYMTMQIG], (20 μM) is prepared in reaction buffer (20 mM Hepes pH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/mL...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QV3QRF
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM463752 (US10781204, Compound I-229 | US11434240, Compound ...) Show SMILES CO[C@H]1CCN(C[C@@]1(C)O)c1ccn(n1)-c1cc(nc2CNC(=O)c12)-c1c(F)cccc1C#N |r| Show InChI InChI=1S/C24H23FN6O3/c1-24(33)13-30(8-6-19(24)34-2)20-7-9-31(29-20)18-10-16(28-17-12-27-23(32)22(17)18)21-14(11-26)4-3-5-15(21)25/h3-5,7,9-10,19,33H,6,8,12-13H2,1-2H3,(H,27,32)/t19-,24+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Peptide substrate, [KKSRGDYMTMQIG], (20 μM) is prepared in reaction buffer (20 mM Hepes pH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/mL...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QV3QRF
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM463696 (US10781204, Compound I-173 | US11434240, Compound ...) Show SMILES O[C@H]1CN(CC[C@H]1F)c1ccn(n1)-c1cc(nc2CNC(=O)c12)-c1c(F)cccc1C#N |r| Show InChI InChI=1S/C22H18F2N6O2/c23-13-4-6-29(11-18(13)31)19-5-7-30(28-19)17-8-15(27-16-10-26-22(32)21(16)17)20-12(9-25)2-1-3-14(20)24/h1-3,5,7-8,13,18,31H,4,6,10-11H2,(H,26,32)/t13-,18+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Peptide substrate, [KKSRGDYMTMQIG], (20 μM) is prepared in reaction buffer (20 mM Hepes pH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/mL...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QV3QRF
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM463710 (US10781204, Compound I-187 | US11434240, Compound ...) Show SMILES CC1(C)C(O)CCN1c1ccn(n1)-c1cc(nc2CNC(=O)c12)-c1c(F)cccc1C#N Show InChI InChI=1S/C23H21FN6O2/c1-23(2)18(31)6-8-29(23)19-7-9-30(28-19)17-10-15(27-16-12-26-22(32)21(16)17)20-13(11-25)4-3-5-14(20)24/h3-5,7,9-10,18,31H,6,8,12H2,1-2H3,(H,26,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Peptide substrate, [KKSRGDYMTMQIG], (20 μM) is prepared in reaction buffer (20 mM Hepes pH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/mL...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QV3QRF
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM463711 (US10781204, Compound I-188 | US11434240, Compound ...) Show SMILES Fc1cccc(C#N)c1-c1cc(c2C(=O)NCc2n1)-n1ccc(n1)N1C[C@@H]2CC[C@H](C1)O2 |r| Show InChI InChI=1S/C23H19FN6O2/c24-16-3-1-2-13(9-25)21(16)17-8-19(22-18(27-17)10-26-23(22)31)30-7-6-20(28-30)29-11-14-4-5-15(12-29)32-14/h1-3,6-8,14-15H,4-5,10-12H2,(H,26,31)/t14-,15+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Peptide substrate, [KKSRGDYMTMQIG], (20 μM) is prepared in reaction buffer (20 mM Hepes pH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/mL...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QV3QRF
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM463662 (US10781204, Compound I-141 | US11434240, Compound ...) Show SMILES Fc1cccc(C#N)c1-c1cc(c2C(=O)NCc2n1)-n1ccc(n1)N1CCNC(=O)CC1 Show InChI InChI=1S/C22H18FN7O2/c23-14-3-1-2-13(11-24)20(14)15-10-17(21-16(27-15)12-26-22(21)32)30-8-4-18(28-30)29-7-5-19(31)25-6-9-29/h1-4,8,10H,5-7,9,12H2,(H,25,31)(H,26,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Peptide substrate, [KKSRGDYMTMQIG], (20 μM) is prepared in reaction buffer (20 mM Hepes pH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/mL...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QV3QRF
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM463600 (US10781204, Compound I-142 | US10781204, Compound ...) Show SMILES O[C@H]1CCN(C1)c1ccn(n1)-c1cc(nc2CNC(=O)c12)-c1c(F)cccc1C#N |r| Show InChI InChI=1S/C21H17FN6O2/c22-14-3-1-2-12(9-23)19(14)15-8-17(20-16(25-15)10-24-21(20)30)28-7-5-18(26-28)27-6-4-13(29)11-27/h1-3,5,7-8,13,29H,4,6,10-11H2,(H,24,30)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Peptide substrate, [KKSRGDYMTMQIG], (20 μM) is prepared in reaction buffer (20 mM Hepes pH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/mL...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QV3QRF
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM463671 (US10781204, Compound I-149 | US11434240, Compound ...) Show SMILES Fc1cccc(C#N)c1-c1cc(c2C(=O)NCc2n1)-n1ccc(n1)N1CCCC(C1)N1CCOCC1 Show InChI InChI=1S/C26H26FN7O2/c27-19-5-1-3-17(14-28)24(19)20-13-22(25-21(30-20)15-29-26(25)35)34-8-6-23(31-34)33-7-2-4-18(16-33)32-9-11-36-12-10-32/h1,3,5-6,8,13,18H,2,4,7,9-12,15-16H2,(H,29,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Peptide substrate, [KKSRGDYMTMQIG], (20 μM) is prepared in reaction buffer (20 mM Hepes pH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/mL...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QV3QRF
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM463672 (US10781204, Compound I-150 | US11434240, Compound ...) Show SMILES C[C@H]1[C@H](O)CCN1c1ccn(n1)-c1cc(nc2CNC(=O)c12)-c1c(F)cccc1C#N |r| Show InChI InChI=1S/C22H19FN6O2/c1-12-18(30)5-7-28(12)19-6-8-29(27-19)17-9-15(26-16-11-25-22(31)21(16)17)20-13(10-24)3-2-4-14(20)23/h2-4,6,8-9,12,18,30H,5,7,11H2,1H3,(H,25,31)/t12-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Peptide substrate, [KKSRGDYMTMQIG], (20 μM) is prepared in reaction buffer (20 mM Hepes pH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/mL...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QV3QRF
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM463682 (US10781204, Compound I-160 | US11434240, Compound ...) Show SMILES OC1CN(CCC1F)c1ccn(n1)-c1cc(nc2CNC(=O)c12)-c1c(F)cccc1C#N Show InChI InChI=1S/C22H18F2N6O2/c23-13-4-6-29(11-18(13)31)19-5-7-30(28-19)17-8-15(27-16-10-26-22(32)21(16)17)20-12(9-25)2-1-3-14(20)24/h1-3,5,7-8,13,18,31H,4,6,10-11H2,(H,26,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Peptide substrate, [KKSRGDYMTMQIG], (20 μM) is prepared in reaction buffer (20 mM Hepes pH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/mL...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QV3QRF
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM463684 (US10781204, Compound I-162 | US11434240, Compound ...) Show SMILES C[C@]1(O)CN(CC[C@H]1O)c1ccn(n1)-c1cc(nc2CNC(=O)c12)-c1c(F)cccc1C#N |r| Show InChI InChI=1S/C23H21FN6O3/c1-23(33)12-29(7-5-18(23)31)19-6-8-30(28-19)17-9-15(27-16-11-26-22(32)21(16)17)20-13(10-25)3-2-4-14(20)24/h2-4,6,8-9,18,31,33H,5,7,11-12H2,1H3,(H,26,32)/t18-,23+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Peptide substrate, [KKSRGDYMTMQIG], (20 μM) is prepared in reaction buffer (20 mM Hepes pH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/mL...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QV3QRF
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM463689 (US10781204, Compound I-166 | US11434240, Compound ...) Show SMILES Fc1cccc(C#N)c1-c1cc(c2C(=O)NCc2n1)-n1ccc(n1)N1CC[C@@]2(CCNC2=O)C1 |r| Show InChI InChI=1S/C24H20FN7O2/c25-15-3-1-2-14(11-26)20(15)16-10-18(21-17(29-16)12-28-22(21)33)32-8-4-19(30-32)31-9-6-24(13-31)5-7-27-23(24)34/h1-4,8,10H,5-7,9,12-13H2,(H,27,34)(H,28,33)/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Peptide substrate, [KKSRGDYMTMQIG], (20 μM) is prepared in reaction buffer (20 mM Hepes pH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/mL...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QV3QRF
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM463639 (US10781204, Compound I-118 | US11434240, Compound ...) Show SMILES N[C@]1(CCCN(C1)c1ccn(n1)-c1cc(nc2CNC(=O)c12)-c1c(F)cccc1C#N)C(F)(F)F |r| Show InChI InChI=1S/C23H19F4N7O/c24-14-4-1-3-13(10-28)19(14)15-9-17(20-16(31-15)11-30-21(20)35)34-8-5-18(32-34)33-7-2-6-22(29,12-33)23(25,26)27/h1,3-5,8-9H,2,6-7,11-12,29H2,(H,30,35)/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Peptide substrate, [KKSRGDYMTMQIG], (20 μM) is prepared in reaction buffer (20 mM Hepes pH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/mL...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QV3QRF
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM463640 (US10781204, Compound I-119 | US11434240, Compound ...) Show SMILES N[C@@]1(CCCN(C1)c1ccn(n1)-c1cc(nc2CNC(=O)c12)-c1c(F)cccc1C#N)C(F)(F)F |r| Show InChI InChI=1S/C23H19F4N7O/c24-14-4-1-3-13(10-28)19(14)15-9-17(20-16(31-15)11-30-21(20)35)34-8-5-18(32-34)33-7-2-6-22(29,12-33)23(25,26)27/h1,3-5,8-9H,2,6-7,11-12,29H2,(H,30,35)/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Peptide substrate, [KKSRGDYMTMQIG], (20 μM) is prepared in reaction buffer (20 mM Hepes pH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/mL...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QV3QRF
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM463657 (US10781204, Compound I-136 | US11434240, Compound ...) Show SMILES O[C@H]1CCN(C[C@H]1O)c1ccn(n1)-c1cc(nc2CNC(=O)c12)-c1c(F)cccc1C#N |r| Show InChI InChI=1S/C22H19FN6O3/c23-13-3-1-2-12(9-24)20(13)14-8-16(21-15(26-14)10-25-22(21)32)29-7-5-19(27-29)28-6-4-17(30)18(31)11-28/h1-3,5,7-8,17-18,30-31H,4,6,10-11H2,(H,25,32)/t17-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Peptide substrate, [KKSRGDYMTMQIG], (20 μM) is prepared in reaction buffer (20 mM Hepes pH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/mL...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QV3QRF
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM463605 (US10781204, Compound I-84 | US11434240, Compound I...) Show SMILES NC1(CCCN(C1)c1ccn(n1)-c1cc(nc2CNC(=O)c12)-c1c(F)cccc1C#N)C(F)(F)F Show InChI InChI=1S/C23H19F4N7O/c24-14-4-1-3-13(10-28)19(14)15-9-17(20-16(31-15)11-30-21(20)35)34-8-5-18(32-34)33-7-2-6-22(29,12-33)23(25,26)27/h1,3-5,8-9H,2,6-7,11-12,29H2,(H,30,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Peptide substrate, [KKSRGDYMTMQIG], (20 μM) is prepared in reaction buffer (20 mM Hepes pH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/mL...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QV3QRF
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM463609 (US10781204, Compound I-88 | US11434240, Compound I...) Show SMILES O[C@@]1(CCCN(C1)c1ccn(n1)-c1cc(nc2CNC(=O)c12)-c1c(F)cccc1C#N)C(F)(F)F |r| Show InChI InChI=1S/C23H18F4N6O2/c24-14-4-1-3-13(10-28)19(14)15-9-17(20-16(30-15)11-29-21(20)34)33-8-5-18(31-33)32-7-2-6-22(35,12-32)23(25,26)27/h1,3-5,8-9,35H,2,6-7,11-12H2,(H,29,34)/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Peptide substrate, [KKSRGDYMTMQIG], (20 μM) is prepared in reaction buffer (20 mM Hepes pH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/mL...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QV3QRF
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM463621 (US10781204, Compound I-100 | US11434240, Compound ...) Show SMILES Fc1cccc(C#N)c1-c1cc(c2C(=O)NCc2n1)-n1ccc(n1)N1CCC2(C1)OCCO2 Show InChI InChI=1S/C23H19FN6O3/c24-15-3-1-2-14(11-25)20(15)16-10-18(21-17(27-16)12-26-22(21)31)30-6-4-19(28-30)29-7-5-23(13-29)32-8-9-33-23/h1-4,6,10H,5,7-9,12-13H2,(H,26,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Peptide substrate, [KKSRGDYMTMQIG], (20 μM) is prepared in reaction buffer (20 mM Hepes pH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/mL...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QV3QRF
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM570426 (US11434240, Compound I-62) Show SMILES CC1(O)CCCN(C1)C1C=C[N](=N1)c1cc(nc2CNC(=O)c12)-c1c(F)cccc1C#N |c:10,12| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Peptide substrate, [KKSRGDYMTMQIG], (20 μM) is prepared in reaction buffer (20 mM Hepes pH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/mL...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QV3QRF
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM463591 (US10781204, Compound I-111 | US10781204, Compound ...) Show SMILES C[C@@]1(O)CCCN(C1)c1ccn(n1)-c1cc(nc2CNC(=O)c12)-c1c(F)cccc1C#N |r| Show InChI InChI=1S/C23H21FN6O2/c1-23(32)7-3-8-29(13-23)19-6-9-30(28-19)18-10-16(27-17-12-26-22(31)21(17)18)20-14(11-25)4-2-5-15(20)24/h2,4-6,9-10,32H,3,7-8,12-13H2,1H3,(H,26,31)/t23-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Peptide substrate, [KKSRGDYMTMQIG], (20 μM) is prepared in reaction buffer (20 mM Hepes pH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/mL...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QV3QRF
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM463596 (US10781204, Compound I-194 | US10781204, Compound ...) Show SMILES OC1CCN(C1)c1ccn(n1)-c1cc(nc2CNC(=O)c12)-c1c(F)cccc1C#N Show InChI InChI=1S/C21H17FN6O2/c22-14-3-1-2-12(9-23)19(14)15-8-17(20-16(25-15)10-24-21(20)30)28-7-5-18(26-28)27-6-4-13(29)11-27/h1-3,5,7-8,13,29H,4,6,10-11H2,(H,24,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Peptide substrate, [KKSRGDYMTMQIG], (20 μM) is prepared in reaction buffer (20 mM Hepes pH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/mL...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QV3QRF
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM463736 (US10781204, Compound I-213 | US10781204, Compound ...) Show SMILES CO[C@@H]1CCN(C[C@]1(C)O)c1ccn(n1)-c1cc(nc2CNC(=O)c12)-c1c(F)cccc1C#N |r| Show InChI InChI=1S/C24H23FN6O3/c1-24(33)13-30(8-6-19(24)34-2)20-7-9-31(29-20)18-10-16(28-17-12-27-23(32)22(17)18)21-14(11-26)4-3-5-15(21)25/h3-5,7,9-10,19,33H,6,8,12-13H2,1-2H3,(H,27,32)/t19-,24+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nimbus Lakshmi, Inc. US Patent					Assay Description The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics tech...				US Patent US10781204 (2020) BindingDB Entry DOI: 10.7270/Q21G0Q9G
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM463752 (US10781204, Compound I-229 | US11434240, Compound ...) Show SMILES CO[C@H]1CCN(C[C@@]1(C)O)c1ccn(n1)-c1cc(nc2CNC(=O)c12)-c1c(F)cccc1C#N |r| Show InChI InChI=1S/C24H23FN6O3/c1-24(33)13-30(8-6-19(24)34-2)20-7-9-31(29-20)18-10-16(28-17-12-27-23(32)22(17)18)21-14(11-26)4-3-5-15(21)25/h3-5,7,9-10,19,33H,6,8,12-13H2,1-2H3,(H,27,32)/t19-,24+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nimbus Lakshmi, Inc. US Patent					Assay Description The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics tech...				US Patent US10781204 (2020) BindingDB Entry DOI: 10.7270/Q21G0Q9G
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM463710 (US10781204, Compound I-187 | US11434240, Compound ...) Show SMILES CC1(C)C(O)CCN1c1ccn(n1)-c1cc(nc2CNC(=O)c12)-c1c(F)cccc1C#N Show InChI InChI=1S/C23H21FN6O2/c1-23(2)18(31)6-8-29(23)19-7-9-30(28-19)17-10-15(27-16-12-26-22(32)21(16)17)20-13(11-25)4-3-5-14(20)24/h3-5,7,9-10,18,31H,6,8,12H2,1-2H3,(H,26,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nimbus Lakshmi, Inc. US Patent					Assay Description The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics tech...				US Patent US10781204 (2020) BindingDB Entry DOI: 10.7270/Q21G0Q9G
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM463711 (US10781204, Compound I-188 | US11434240, Compound ...) Show SMILES Fc1cccc(C#N)c1-c1cc(c2C(=O)NCc2n1)-n1ccc(n1)N1C[C@@H]2CC[C@H](C1)O2 |r| Show InChI InChI=1S/C23H19FN6O2/c24-16-3-1-2-13(9-25)21(16)17-8-19(22-18(27-17)10-26-23(22)31)30-7-6-20(28-30)29-11-14-4-5-15(12-29)32-14/h1-3,6-8,14-15H,4-5,10-12H2,(H,26,31)/t14-,15+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nimbus Lakshmi, Inc. US Patent					Assay Description The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics tech...				US Patent US10781204 (2020) BindingDB Entry DOI: 10.7270/Q21G0Q9G
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM463671 (US10781204, Compound I-149 | US11434240, Compound ...) Show SMILES Fc1cccc(C#N)c1-c1cc(c2C(=O)NCc2n1)-n1ccc(n1)N1CCCC(C1)N1CCOCC1 Show InChI InChI=1S/C26H26FN7O2/c27-19-5-1-3-17(14-28)24(19)20-13-22(25-21(30-20)15-29-26(25)35)34-8-6-23(31-34)33-7-2-4-18(16-33)32-9-11-36-12-10-32/h1,3,5-6,8,13,18H,2,4,7,9-12,15-16H2,(H,29,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nimbus Lakshmi, Inc. US Patent					Assay Description The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics tech...				US Patent US10781204 (2020) BindingDB Entry DOI: 10.7270/Q21G0Q9G
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM463672 (US10781204, Compound I-150 | US11434240, Compound ...) Show SMILES C[C@H]1[C@H](O)CCN1c1ccn(n1)-c1cc(nc2CNC(=O)c12)-c1c(F)cccc1C#N |r| Show InChI InChI=1S/C22H19FN6O2/c1-12-18(30)5-7-28(12)19-6-8-29(27-19)17-9-15(26-16-11-25-22(31)21(16)17)20-13(10-24)3-2-4-14(20)23/h2-4,6,8-9,12,18,30H,5,7,11H2,1H3,(H,25,31)/t12-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nimbus Lakshmi, Inc. US Patent					Assay Description The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics tech...				US Patent US10781204 (2020) BindingDB Entry DOI: 10.7270/Q21G0Q9G
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM463682 (US10781204, Compound I-160 | US11434240, Compound ...) Show SMILES OC1CN(CCC1F)c1ccn(n1)-c1cc(nc2CNC(=O)c12)-c1c(F)cccc1C#N Show InChI InChI=1S/C22H18F2N6O2/c23-13-4-6-29(11-18(13)31)19-5-7-30(28-19)17-8-15(27-16-10-26-22(32)21(16)17)20-12(9-25)2-1-3-14(20)24/h1-3,5,7-8,13,18,31H,4,6,10-11H2,(H,26,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nimbus Lakshmi, Inc. US Patent					Assay Description The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics tech...				US Patent US10781204 (2020) BindingDB Entry DOI: 10.7270/Q21G0Q9G
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM463684 (US10781204, Compound I-162 | US11434240, Compound ...) Show SMILES C[C@]1(O)CN(CC[C@H]1O)c1ccn(n1)-c1cc(nc2CNC(=O)c12)-c1c(F)cccc1C#N |r| Show InChI InChI=1S/C23H21FN6O3/c1-23(33)12-29(7-5-18(23)31)19-6-8-30(28-19)17-9-15(27-16-11-26-22(32)21(16)17)20-13(10-25)3-2-4-14(20)24/h2-4,6,8-9,18,31,33H,5,7,11-12H2,1H3,(H,26,32)/t18-,23+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nimbus Lakshmi, Inc. US Patent					Assay Description The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics tech...				US Patent US10781204 (2020) BindingDB Entry DOI: 10.7270/Q21G0Q9G
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM463689 (US10781204, Compound I-166 | US11434240, Compound ...) Show SMILES Fc1cccc(C#N)c1-c1cc(c2C(=O)NCc2n1)-n1ccc(n1)N1CC[C@@]2(CCNC2=O)C1 |r| Show InChI InChI=1S/C24H20FN7O2/c25-15-3-1-2-14(11-26)20(15)16-10-18(21-17(29-16)12-28-22(21)33)32-8-4-19(30-32)31-9-6-24(13-31)5-7-27-23(24)34/h1-4,8,10H,5-7,9,12-13H2,(H,27,34)(H,28,33)/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nimbus Lakshmi, Inc. US Patent					Assay Description The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics tech...				US Patent US10781204 (2020) BindingDB Entry DOI: 10.7270/Q21G0Q9G
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM463696 (US10781204, Compound I-173 | US11434240, Compound ...) Show SMILES O[C@H]1CN(CC[C@H]1F)c1ccn(n1)-c1cc(nc2CNC(=O)c12)-c1c(F)cccc1C#N |r| Show InChI InChI=1S/C22H18F2N6O2/c23-13-4-6-29(11-18(13)31)19-5-7-30(28-19)17-8-15(27-16-10-26-22(32)21(16)17)20-12(9-25)2-1-3-14(20)24/h1-3,5,7-8,13,18,31H,4,6,10-11H2,(H,26,32)/t13-,18+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nimbus Lakshmi, Inc. US Patent					Assay Description The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics tech...				US Patent US10781204 (2020) BindingDB Entry DOI: 10.7270/Q21G0Q9G
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM463639 (US10781204, Compound I-118 | US11434240, Compound ...) Show SMILES N[C@]1(CCCN(C1)c1ccn(n1)-c1cc(nc2CNC(=O)c12)-c1c(F)cccc1C#N)C(F)(F)F |r| Show InChI InChI=1S/C23H19F4N7O/c24-14-4-1-3-13(10-28)19(14)15-9-17(20-16(31-15)11-30-21(20)35)34-8-5-18(32-34)33-7-2-6-22(29,12-33)23(25,26)27/h1,3-5,8-9H,2,6-7,11-12,29H2,(H,30,35)/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nimbus Lakshmi, Inc. US Patent					Assay Description The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics tech...				US Patent US10781204 (2020) BindingDB Entry DOI: 10.7270/Q21G0Q9G
					More data for this Ligand-Target Pair

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