Compile Data Set for Download or QSAR

Found 886 hits with Last Name = 'kornilov' and Initial = 'a'   

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
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM190273 (US9180116, 21C) Show SMILES CCCCC[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCc1ccc(cc1)C(O)=O Show InChI InChI=1S/C21H27F2NO4/c1-2-3-4-5-18(25)11-10-17-14-21(22,23)20(28)24(17)13-12-15-6-8-16(9-7-15)19(26)27/h6-11,17-18,25H,2-5,12-14H2,1H3,(H,26,27)/b11-10+/t17-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0820	n/a	0.220	n/a	n/a	n/a	n/a	6.0	n/a
Cayman Chemical Company, Inc. US Patent					Assay Description Assay Volume and Format:200 μl in 96-well plateCell membrane homogenates (20 μg protein) are incubated for 120 min at 22° C. with 0.5 nM [3...				US Patent US9180116 (2015) BindingDB Entry DOI: 10.7270/Q2QC029S
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM190282 (US9180116, 33C) Show SMILES CCCCC[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(s1)C(O)=O Show InChI InChI=1S/C20H27F2NO4S/c1-2-3-4-6-15(24)9-8-14-13-20(21,22)19(27)23(14)12-5-7-16-10-11-17(28-16)18(25)26/h8-11,14-15,24H,2-7,12-13H2,1H3,(H,25,26)/b9-8+/t14-,15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.100	n/a	0.280	n/a	n/a	n/a	n/a	6.0	n/a
Cayman Chemical Company, Inc. US Patent					Assay Description Assay Volume and Format:200 μl in 96-well plateCell membrane homogenates (20 μg protein) are incubated for 120 min at 22° C. with 0.5 nM [3...				US Patent US9180116 (2015) BindingDB Entry DOI: 10.7270/Q2QC029S
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM35847 ((15S)-prostaglandin E2 | (5Z,11alpha,13E,15S)-11,1...) Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O Show InChI InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cayman Chemical Company, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]PGE2 from human recombinant EP4 receptor expressed in HEK293 cell membranes after 120 mins by liquid scintillation counting metho...				J Med Chem 62: 4731-4741 (2019) Article DOI: 10.1021/acs.jmedchem.9b00336 BindingDB Entry DOI: 10.7270/Q22R3W32
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM190272 (US9180116, 12D) Show SMILES CCC#CC[C@H](C)[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCc1ccc(cc1)C(O)=O Show InChI InChI=1S/C23H27F2NO4/c1-3-4-5-6-16(2)20(27)12-11-19-15-23(24,25)22(30)26(19)14-13-17-7-9-18(10-8-17)21(28)29/h7-12,16,19-20,27H,3,6,13-15H2,1-2H3,(H,28,29)/b12-11+/t16-,19-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.120	n/a	0.320	n/a	n/a	n/a	n/a	6.0	n/a
Cayman Chemical Company, Inc. US Patent					Assay Description Assay Volume and Format:200 μl in 96-well plateCell membrane homogenates (20 μg protein) are incubated for 120 min at 22° C. with 0.5 nM [3...				US Patent US9180116 (2015) BindingDB Entry DOI: 10.7270/Q2QC029S
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM50101822 ((Z)-7-[(1R,2R,3R)-3-Hydroxy-2-((E)-(R)-3-hydroxy-o...) Show SMILES CCCCC[C@@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O Show InChI InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	US Patent	0.140	n/a	0.380	n/a	n/a	n/a	n/a	6.0	n/a
Cayman Chemical Company, Inc. US Patent					Assay Description Assay Volume and Format:200 μl in 96-well plateCell membrane homogenates (20 μg protein) are incubated for 120 min at 22° C. with 0.5 nM [3...				US Patent US9180116 (2015) BindingDB Entry DOI: 10.7270/Q2QC029S
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM190270 (US9180116, 9C) Show SMILES CCCCC[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCCCCC(O)=O Show InChI InChI=1S/C19H31F2NO4/c1-2-3-6-9-16(23)12-11-15-14-19(20,21)18(26)22(15)13-8-5-4-7-10-17(24)25/h11-12,15-16,23H,2-10,13-14H2,1H3,(H,24,25)/b12-11+/t15-,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cayman Chemical Company, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]PGE2 from human recombinant EP4 receptor expressed in HEK293 cell membranes after 120 mins by liquid scintillation counting metho...				J Med Chem 62: 4731-4741 (2019) Article DOI: 10.1021/acs.jmedchem.9b00336 BindingDB Entry DOI: 10.7270/Q22R3W32
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM190270 (US9180116, 9C) Show SMILES CCCCC[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCCCCC(O)=O Show InChI InChI=1S/C19H31F2NO4/c1-2-3-6-9-16(23)12-11-15-14-19(20,21)18(26)22(15)13-8-5-4-7-10-17(24)25/h11-12,15-16,23H,2-10,13-14H2,1H3,(H,24,25)/b12-11+/t15-,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.210	n/a	0.570	n/a	n/a	n/a	n/a	6.0	n/a
Cayman Chemical Company, Inc. US Patent					Assay Description Assay Volume and Format:200 μl in 96-well plateCell membrane homogenates (20 μg protein) are incubated for 120 min at 22° C. with 0.5 nM [3...				US Patent US9180116 (2015) BindingDB Entry DOI: 10.7270/Q2QC029S
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM190275 (US9180116, 28C | US9180116, 28H) Show SMILES C[C@@H](CCCc1ccccc1)[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(s1)C(O)=O Show InChI InChI=1S/C26H31F2NO4S/c1-18(7-5-10-19-8-3-2-4-9-19)22(30)14-12-20-17-26(27,28)25(33)29(20)16-6-11-21-13-15-23(34-21)24(31)32/h2-4,8-9,12-15,18,20,22,30H,5-7,10-11,16-17H2,1H3,(H,31,32)/b14-12+/t18-,20-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.280	n/a	0.740	n/a	n/a	n/a	n/a	6.0	n/a
Cayman Chemical Company, Inc. US Patent					Assay Description Assay Volume and Format:200 μl in 96-well plateCell membrane homogenates (20 μg protein) are incubated for 120 min at 22° C. with 0.5 nM [3...				US Patent US9180116 (2015) BindingDB Entry DOI: 10.7270/Q2QC029S
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM190268 (US9180116, 2C) Show SMILES CCC#CC[C@H](C)[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCCCCC(O)=O Show InChI InChI=1S/C21H31F2NO4/c1-3-4-7-10-16(2)18(25)13-12-17-15-21(22,23)20(28)24(17)14-9-6-5-8-11-19(26)27/h12-13,16-18,25H,3,5-6,8-11,14-15H2,1-2H3,(H,26,27)/b13-12+/t16-,17-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.378	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cayman Chemical Company, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]PGE2 from human recombinant EP4 receptor expressed in HEK293 cell membranes after 120 mins by liquid scintillation counting metho...				J Med Chem 62: 4731-4741 (2019) Article DOI: 10.1021/acs.jmedchem.9b00336 BindingDB Entry DOI: 10.7270/Q22R3W32
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM50101858 (4-(2-((1R,2R,3R)-3-hydroxy-2-((S,E)-3-hydroxy-4-(3...) Show SMILES COCc1cccc(C[C@H](O)\C=C\[C@H]2[C@H](O)CC(=O)[C@@H]2CCSCCCC(O)=O)c1 Show InChI InChI=1S/C23H32O6S/c1-29-15-17-5-2-4-16(12-17)13-18(24)7-8-19-20(22(26)14-21(19)25)9-11-30-10-3-6-23(27)28/h2,4-5,7-8,12,18-21,24-25H,3,6,9-11,13-15H2,1H3,(H,27,28)/b8-7+/t18-,19-,20-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.396	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cayman Chemical Company, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]PGE2 from human recombinant EP4 receptor expressed in HEK293 cell membranes after 120 mins by liquid scintillation counting metho...				J Med Chem 62: 4731-4741 (2019) Article DOI: 10.1021/acs.jmedchem.9b00336 BindingDB Entry DOI: 10.7270/Q22R3W32
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM190267 (US9180116, 1F) Show SMILES CC#CC[C@H](C)[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCCCCC(O)=O Show InChI InChI=1S/C20H29F2NO4/c1-3-4-9-15(2)17(24)12-11-16-14-20(21,22)19(27)23(16)13-8-6-5-7-10-18(25)26/h11-12,15-17,24H,5-10,13-14H2,1-2H3,(H,25,26)/b12-11+/t15-,16-,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.440	n/a	1.20	n/a	n/a	n/a	n/a	6.0	n/a
Cayman Chemical Company, Inc. US Patent					Assay Description Assay Volume and Format:200 μl in 96-well plateCell membrane homogenates (20 μg protein) are incubated for 120 min at 22° C. with 0.5 nM [3...				US Patent US9180116 (2015) BindingDB Entry DOI: 10.7270/Q2QC029S
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM190268 (US9180116, 2C) Show SMILES CCC#CC[C@H](C)[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCCCCC(O)=O Show InChI InChI=1S/C21H31F2NO4/c1-3-4-7-10-16(2)18(25)13-12-17-15-21(22,23)20(28)24(17)14-9-6-5-8-11-19(26)27/h12-13,16-18,25H,3,5-6,8-11,14-15H2,1-2H3,(H,26,27)/b13-12+/t16-,17-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.490	n/a	1.30	n/a	n/a	n/a	n/a	6.0	n/a
Cayman Chemical Company, Inc. US Patent					Assay Description Assay Volume and Format:200 μl in 96-well plateCell membrane homogenates (20 μg protein) are incubated for 120 min at 22° C. with 0.5 nM [3...				US Patent US9180116 (2015) BindingDB Entry DOI: 10.7270/Q2QC029S
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM190269 (US9180116, 6D) Show SMILES C[C@@H](CCCc1ccccc1)[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCCCCC(O)=O Show InChI InChI=1S/C25H35F2NO4/c1-19(10-9-13-20-11-5-4-6-12-20)22(29)16-15-21-18-25(26,27)24(32)28(21)17-8-3-2-7-14-23(30)31/h4-6,11-12,15-16,19,21-22,29H,2-3,7-10,13-14,17-18H2,1H3,(H,30,31)/b16-15+/t19-,21-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.890	n/a	2.40	n/a	n/a	n/a	n/a	6.0	n/a
Cayman Chemical Company, Inc. US Patent					Assay Description Assay Volume and Format:200 μl in 96-well plateCell membrane homogenates (20 μg protein) are incubated for 120 min at 22° C. with 0.5 nM [3...				US Patent US9180116 (2015) BindingDB Entry DOI: 10.7270/Q2QC029S
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM569294 (US11427563, Compound 36) Show SMILES CN(C)Cc1ccc(NC(=O)c2cccc(c2)[C@@H]2C[C@H]2C(=O)Nc2ccc3cncc(Cl)c3c2)nc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description All compounds were initially prepared as 10 mM stocks in anhydrous dimethylsulfoxide (DMSO). A 20 μl aliquot of the 10 mM solutions was transfer...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JVK
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (Homo sapiens (Human))	BDBM35847 ((15S)-prostaglandin E2 | (5Z,11alpha,13E,15S)-11,1...) Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O Show InChI InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cayman Chemical Company, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]PGE2 from human recombinant EP2 receptor expressed in HEK293 cell membranes after 120 mins by liquid scintillation counting metho...				J Med Chem 62: 4731-4741 (2019) Article DOI: 10.1021/acs.jmedchem.9b00336 BindingDB Entry DOI: 10.7270/Q22R3W32
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM190274 (US9180116, 24D) Show SMILES CCC#CC[C@H](C)[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(s1)C(O)=O Show InChI InChI=1S/C22H27F2NO4S/c1-3-4-5-7-15(2)18(26)11-9-16-14-22(23,24)21(29)25(16)13-6-8-17-10-12-19(30-17)20(27)28/h9-12,15-16,18,26H,3,6-8,13-14H2,1-2H3,(H,27,28)/b11-9+/t15-,16-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.20	n/a	3.30	n/a	n/a	n/a	n/a	6.0	n/a
Cayman Chemical Company, Inc. US Patent					Assay Description Assay Volume and Format:200 μl in 96-well plateCell membrane homogenates (20 μg protein) are incubated for 120 min at 22° C. with 0.5 nM [3...				US Patent US9180116 (2015) BindingDB Entry DOI: 10.7270/Q2QC029S
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM50142481 (7-[(R)-2-((E)-(S)-3-Hydroxy-oct-1-enyl)-5-oxo-pyrr...) Show SMILES CCCCC[C@H](O)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O Show InChI InChI=1S/C19H33NO4/c1-2-3-6-9-17(21)13-11-16-12-14-18(22)20(16)15-8-5-4-7-10-19(23)24/h11,13,16-17,21H,2-10,12,14-15H2,1H3,(H,23,24)/b13-11+/t16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cayman Chemical Company, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]PGE2 from human recombinant EP4 receptor expressed in HEK293 cell membranes after 120 mins by liquid scintillation counting metho...				J Med Chem 62: 4731-4741 (2019) Article DOI: 10.1021/acs.jmedchem.9b00336 BindingDB Entry DOI: 10.7270/Q22R3W32
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM190271 (US9180116, 10C) Show SMILES O[C@@H](CCCCc1ccccc1)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCCCCC(O)=O Show InChI InChI=1S/C24H33F2NO4/c25-24(26)18-20(27(23(24)31)17-9-2-1-6-14-22(29)30)15-16-21(28)13-8-7-12-19-10-4-3-5-11-19/h3-5,10-11,15-16,20-21,28H,1-2,6-9,12-14,17-18H2,(H,29,30)/b16-15+/t20-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.80	n/a	4.90	n/a	n/a	n/a	n/a	6.0	n/a
Cayman Chemical Company, Inc. US Patent					Assay Description Assay Volume and Format:200 μl in 96-well plateCell membrane homogenates (20 μg protein) are incubated for 120 min at 22° C. with 0.5 nM [3...				US Patent US9180116 (2015) BindingDB Entry DOI: 10.7270/Q2QC029S
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM179834 (US9676712, 2C) Show SMILES CC(CCCc1ccccc1)[C@@H](O)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O |r| Show InChI InChI=1S/C25H37NO4/c1-20(10-9-13-21-11-5-4-6-12-21)23(27)17-15-22-16-18-24(28)26(22)19-8-3-2-7-14-25(29)30/h4-6,11-12,15,17,20,22-23,27H,2-3,7-10,13-14,16,18-19H2,1H3,(H,29,30)/b17-15+/t20?,22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.10	n/a	5.70	n/a	n/a	n/a	n/a	6.0	n/a
CAYMAN CHEMICAL COMPANY, INC. US Patent					Assay Description 200 μl in 96-well plate. Cell membrane homogenates (20 μg protein) are incubated for 120 min at 22° C. with 0.5 nM [3H]PGE2 in the absence ...				US Patent US9676712 (2017) BindingDB Entry DOI: 10.7270/Q23X84T9
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype (Homo sapiens (Human))	BDBM35847 ((15S)-prostaglandin E2 | (5Z,11alpha,13E,15S)-11,1...) Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O Show InChI InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cayman Chemical Company, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]PGE2 from human recombinant EP3 receptor expressed in HEK293 cell membranes after 120 mins by liquid scintillation counting metho...				J Med Chem 62: 4731-4741 (2019) Article DOI: 10.1021/acs.jmedchem.9b00336 BindingDB Entry DOI: 10.7270/Q22R3W32
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM50521600 (CHEMBL4558749) Show SMILES CCC#CC[C@H](C)[C@H](O)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O |r| Show InChI InChI=1S/C21H33NO4/c1-3-4-7-10-17(2)19(23)14-12-18-13-15-20(24)22(18)16-9-6-5-8-11-21(25)26/h12,14,17-19,23H,3,5-6,8-11,13,15-16H2,1-2H3,(H,25,26)/b14-12+/t17-,18-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cayman Chemical Company, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]PGE2 from human recombinant EP4 receptor expressed in HEK293 cell membranes after 120 mins by liquid scintillation counting metho...				J Med Chem 62: 4731-4741 (2019) Article DOI: 10.1021/acs.jmedchem.9b00336 BindingDB Entry DOI: 10.7270/Q22R3W32
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM179827 (US9676712, 1C) Show SMILES O[C@H](CCCCc1ccccc1)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O |r| Show InChI InChI=1S/C24H35NO4/c26-22(13-8-7-12-20-10-4-3-5-11-20)17-15-21-16-18-23(27)25(21)19-9-2-1-6-14-24(28)29/h3-5,10-11,15,17,21-22,26H,1-2,6-9,12-14,16,18-19H2,(H,28,29)/b17-15+/t21-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.80	n/a	10	n/a	n/a	n/a	n/a	6.0	n/a
CAYMAN CHEMICAL COMPANY, INC. US Patent					Assay Description 200 μl in 96-well plate. Cell membrane homogenates (20 μg protein) are incubated for 120 min at 22° C. with 0.5 nM [3H]PGE2 in the absence ...				US Patent US9676712 (2017) BindingDB Entry DOI: 10.7270/Q23X84T9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM569294 (US11427563, Compound 36) Show SMILES CN(C)Cc1ccc(NC(=O)c2cccc(c2)[C@@H]2C[C@H]2C(=O)Nc2ccc3cncc(Cl)c3c2)nc1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were prepared in the exact same manner as described in the ROCK Kinase Assay with the exception to the substrate and enzyme. The JAK 2× sub...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JVK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM569294 (US11427563, Compound 36) Show SMILES CN(C)Cc1ccc(NC(=O)c2cccc(c2)[C@@H]2C[C@H]2C(=O)Nc2ccc3cncc(Cl)c3c2)nc1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	211	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were prepared in the exact same manner as described in the ROCK Kinase Assay with the exception to the substrate and enzyme. The JAK 2× sub...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JVK
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype (Homo sapiens (Human))	BDBM190268 (US9180116, 2C) Show SMILES CCC#CC[C@H](C)[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCCCCC(O)=O Show InChI InChI=1S/C21H31F2NO4/c1-3-4-7-10-16(2)18(25)13-12-17-15-21(22,23)20(28)24(17)14-9-6-5-8-11-19(26)27/h12-13,16-18,25H,3,5-6,8-11,14-15H2,1-2H3,(H,26,27)/b13-12+/t16-,17-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	258	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cayman Chemical Company, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]PGE2 from human recombinant EP3 receptor expressed in HEK293 cell membranes after 120 mins by liquid scintillation counting metho...				J Med Chem 62: 4731-4741 (2019) Article DOI: 10.1021/acs.jmedchem.9b00336 BindingDB Entry DOI: 10.7270/Q22R3W32
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (Homo sapiens (Human))	BDBM190270 (US9180116, 9C) Show SMILES CCCCC[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCCCCC(O)=O Show InChI InChI=1S/C19H31F2NO4/c1-2-3-6-9-16(23)12-11-15-14-19(20,21)18(26)22(15)13-8-5-4-7-10-17(24)25/h11-12,15-16,23H,2-10,13-14H2,1H3,(H,24,25)/b12-11+/t15-,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	329	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cayman Chemical Company, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]PGE2 from human recombinant EP2 receptor expressed in HEK293 cell membranes after 120 mins by liquid scintillation counting metho...				J Med Chem 62: 4731-4741 (2019) Article DOI: 10.1021/acs.jmedchem.9b00336 BindingDB Entry DOI: 10.7270/Q22R3W32
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype (Homo sapiens (Human))	BDBM190270 (US9180116, 9C) Show SMILES CCCCC[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCCCCC(O)=O Show InChI InChI=1S/C19H31F2NO4/c1-2-3-6-9-16(23)12-11-15-14-19(20,21)18(26)22(15)13-8-5-4-7-10-17(24)25/h11-12,15-16,23H,2-10,13-14H2,1H3,(H,24,25)/b12-11+/t15-,16-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cayman Chemical Company, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]PGE2 from human recombinant EP3 receptor expressed in HEK293 cell membranes after 120 mins by liquid scintillation counting metho...				J Med Chem 62: 4731-4741 (2019) Article DOI: 10.1021/acs.jmedchem.9b00336 BindingDB Entry DOI: 10.7270/Q22R3W32
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype (Homo sapiens (Human))	BDBM50521600 (CHEMBL4558749) Show SMILES CCC#CC[C@H](C)[C@H](O)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O |r| Show InChI InChI=1S/C21H33NO4/c1-3-4-7-10-17(2)19(23)14-12-18-13-15-20(24)22(18)16-9-6-5-8-11-21(25)26/h12,14,17-19,23H,3,5-6,8-11,13,15-16H2,1-2H3,(H,25,26)/b14-12+/t17-,18-,19+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cayman Chemical Company, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]PGE2 from human recombinant EP3 receptor expressed in HEK293 cell membranes after 120 mins by liquid scintillation counting metho...				J Med Chem 62: 4731-4741 (2019) Article DOI: 10.1021/acs.jmedchem.9b00336 BindingDB Entry DOI: 10.7270/Q22R3W32
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype (Homo sapiens (Human))	BDBM50142481 (7-[(R)-2-((E)-(S)-3-Hydroxy-oct-1-enyl)-5-oxo-pyrr...) Show SMILES CCCCC[C@H](O)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O Show InChI InChI=1S/C19H33NO4/c1-2-3-6-9-17(21)13-11-16-12-14-18(22)20(16)15-8-5-4-7-10-19(23)24/h11,13,16-17,21H,2-10,12,14-15H2,1H3,(H,23,24)/b13-11+/t16-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cayman Chemical Company, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]PGE2 from human recombinant EP3 receptor expressed in HEK293 cell membranes after 120 mins by liquid scintillation counting metho...				J Med Chem 62: 4731-4741 (2019) Article DOI: 10.1021/acs.jmedchem.9b00336 BindingDB Entry DOI: 10.7270/Q22R3W32
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM569294 (US11427563, Compound 36) Show SMILES CN(C)Cc1ccc(NC(=O)c2cccc(c2)[C@@H]2C[C@H]2C(=O)Nc2ccc3cncc(Cl)c3c2)nc1 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.19E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description All compounds were initially prepared as 10 mM stocks in anhydrous dimethylsulfoxide (DMSO). A 20 μl aliquot of the 10 mM solutions was transfer...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JVK
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (Homo sapiens (Human))	BDBM50142481 (7-[(R)-2-((E)-(S)-3-Hydroxy-oct-1-enyl)-5-oxo-pyrr...) Show SMILES CCCCC[C@H](O)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O Show InChI InChI=1S/C19H33NO4/c1-2-3-6-9-17(21)13-11-16-12-14-18(22)20(16)15-8-5-4-7-10-19(23)24/h11,13,16-17,21H,2-10,12,14-15H2,1H3,(H,23,24)/b13-11+/t16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.46E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cayman Chemical Company, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]PGE2 from human recombinant EP2 receptor expressed in HEK293 cell membranes after 120 mins by liquid scintillation counting metho...				J Med Chem 62: 4731-4741 (2019) Article DOI: 10.1021/acs.jmedchem.9b00336 BindingDB Entry DOI: 10.7270/Q22R3W32
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (Homo sapiens (Human))	BDBM190268 (US9180116, 2C) Show SMILES CCC#CC[C@H](C)[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCCCCC(O)=O Show InChI InChI=1S/C21H31F2NO4/c1-3-4-7-10-16(2)18(25)13-12-17-15-21(22,23)20(28)24(17)14-9-6-5-8-11-19(26)27/h12-13,16-18,25H,3,5-6,8-11,14-15H2,1-2H3,(H,26,27)/b13-12+/t16-,17-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.97E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cayman Chemical Company, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]PGE2 from human recombinant EP2 receptor expressed in HEK293 cell membranes after 120 mins by liquid scintillation counting metho...				J Med Chem 62: 4731-4741 (2019) Article DOI: 10.1021/acs.jmedchem.9b00336 BindingDB Entry DOI: 10.7270/Q22R3W32
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (Homo sapiens (Human))	BDBM50521600 (CHEMBL4558749) Show SMILES CCC#CC[C@H](C)[C@H](O)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O |r| Show InChI InChI=1S/C21H33NO4/c1-3-4-7-10-17(2)19(23)14-12-18-13-15-20(24)22(18)16-9-6-5-8-11-21(25)26/h12,14,17-19,23H,3,5-6,8-11,13,15-16H2,1-2H3,(H,25,26)/b14-12+/t17-,18-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	1.22E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cayman Chemical Company, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]PGE2 from human recombinant EP2 receptor expressed in HEK293 cell membranes after 120 mins by liquid scintillation counting metho...				J Med Chem 62: 4731-4741 (2019) Article DOI: 10.1021/acs.jmedchem.9b00336 BindingDB Entry DOI: 10.7270/Q22R3W32
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM569235 (US11427563, Compound 10 | US11427563, Compound 102...) Show SMILES Cc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3cnccn3)cc12 |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	0	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were prepared in the exact same manner as described in the ROCK Kinase Assay with the exception to the substrate and enzyme. The JAK 2× sub...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JVK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM569296 (US11427563, Compound 51) Show SMILES NCc1ccnc(NS(=O)(=O)c2ccc(cc2)C2CC2C(=O)Nc2ccc3cncc(Cl)c3c2)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	0	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were prepared in the exact same manner as described in the ROCK Kinase Assay with the exception to the substrate and enzyme. The JAK 2× sub...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JVK
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM569325 (US11427563, Compound 121 | US11427563, Compound 81) Show SMILES Clc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)NC[C@@H]3CCCNC3)cc12 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description All compounds were initially prepared as 10 mM stocks in anhydrous dimethylsulfoxide (DMSO). A 20 μl aliquot of the 10 mM solutions was transfer...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JVK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM569281 (US11427563, Compound 170 | US11427563, Compound 32...) Show SMILES Cc1cncc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(cc3)S(=O)(=O)Nc3nccs3)cc12 |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	0	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were prepared in the exact same manner as described in the ROCK Kinase Assay with the exception to the substrate and enzyme. The JAK 2× sub...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JVK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM569235 (US11427563, Compound 10 | US11427563, Compound 102...) Show SMILES Cc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3cnccn3)cc12 |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	0	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were prepared in the exact same manner as described in the ROCK Kinase Assay with the exception to the substrate and enzyme. The JAK 2× sub...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JVK
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM569243 (US11427563, Compound 110 | US11427563, Compound 52) Show SMILES Fc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ccccn3)cc12 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description All compounds were initially prepared as 10 mM stocks in anhydrous dimethylsulfoxide (DMSO). A 20 μl aliquot of the 10 mM solutions was transfer...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JVK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM569281 (US11427563, Compound 170 | US11427563, Compound 32...) Show SMILES Cc1cncc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(cc3)S(=O)(=O)Nc3nccs3)cc12 |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	0	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were prepared in the exact same manner as described in the ROCK Kinase Assay with the exception to the substrate and enzyme. The JAK 2× sub...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JVK
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM569236 (US11427563, Compound 103) Show SMILES Cc1cncc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(cc3)S(=O)(=O)Nc3ccccn3)cc12 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description All compounds were initially prepared as 10 mM stocks in anhydrous dimethylsulfoxide (DMSO). A 20 μl aliquot of the 10 mM solutions was transfer...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JVK
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM569239 (US11427563, Compound 106 | US11427563, Compound 11...) Show SMILES Clc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ccccn3)cc12 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description All compounds were initially prepared as 10 mM stocks in anhydrous dimethylsulfoxide (DMSO). A 20 μl aliquot of the 10 mM solutions was transfer...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JVK
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM569288 (US11427563, Compound 20 | US11427563, Compound 93) Show SMILES O=C(Nc1ccc2cncc(C#N)c2c1)[C@@H]1CC1c1ccc(cc1)S(=O)(=O)Nc1ccccn1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description All compounds were initially prepared as 10 mM stocks in anhydrous dimethylsulfoxide (DMSO). A 20 μl aliquot of the 10 mM solutions was transfer...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JVK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM569236 (US11427563, Compound 103) Show SMILES Cc1cncc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(cc3)S(=O)(=O)Nc3ccccn3)cc12 |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	0	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were prepared in the exact same manner as described in the ROCK Kinase Assay with the exception to the substrate and enzyme. The JAK 2× sub...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JVK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM569312 (US11427563, Compound 68) Show SMILES FC(F)(F)Cc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ncccn3)cc12 |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	0	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were prepared in the exact same manner as described in the ROCK Kinase Assay with the exception to the substrate and enzyme. The JAK 2× sub...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JVK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM569313 (US11427563, Compound 69) Show SMILES FC(F)(F)Oc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ccccn3)cc12 |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	0	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were prepared in the exact same manner as described in the ROCK Kinase Assay with the exception to the substrate and enzyme. The JAK 2× sub...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JVK
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM569288 (US11427563, Compound 20 | US11427563, Compound 93) Show SMILES O=C(Nc1ccc2cncc(C#N)c2c1)[C@@H]1CC1c1ccc(cc1)S(=O)(=O)Nc1ccccn1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were prepared in the exact same manner as described in the ROCK Kinase Assay with the exception to the substrate and enzyme. The JAK 2× sub...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JVK
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM569315 (US11427563, Compound 70) Show SMILES CCCc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ncccn3)cc12 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description All compounds were initially prepared as 10 mM stocks in anhydrous dimethylsulfoxide (DMSO). A 20 μl aliquot of the 10 mM solutions was transfer...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JVK
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM569295 (US11427563, Compound 49) Show SMILES CCCCc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ccccn3)cc12 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description All compounds were initially prepared as 10 mM stocks in anhydrous dimethylsulfoxide (DMSO). A 20 μl aliquot of the 10 mM solutions was transfer...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JVK
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM569298 (US11427563, Compound 53 | US11427563, Compound 62) Show SMILES O=C(Nc1ccc2cncc(C3CC3)c2c1)[C@@H]1C[C@H]1c1ccc(cc1)S(=O)(=O)Nc1ccccn1 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description All compounds were initially prepared as 10 mM stocks in anhydrous dimethylsulfoxide (DMSO). A 20 μl aliquot of the 10 mM solutions was transfer...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JVK
					More data for this Ligand-Target Pair

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