Compile Data Set for Download or QSAR

Found 206 hits with Last Name = 'frau' and Initial = 's'   

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
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50200169 (6-methyl-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl...) Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)c1 Show InChI InChI=1S/C23H22Cl2N4O/c1-14-5-7-17-15(11-14)12-18-21(23(30)27-28-9-3-2-4-10-28)26-29(22(17)18)20-8-6-16(24)13-19(20)25/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.0370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Binding affinity to CB2 receptor (unknown origin)				Eur J Med Chem 82: 281-92 (2014) Article DOI: 10.1016/j.ejmech.2014.05.055 BindingDB Entry DOI: 10.7270/Q2D2206G
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50180022 (5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...) Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1 |THB:21:22:26.25:28| Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55,940 from CB2 receptor (unknown origin)				Eur J Med Chem 82: 281-92 (2014) Article DOI: 10.1016/j.ejmech.2014.05.055 BindingDB Entry DOI: 10.7270/Q2D2206G
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50020597 (CHEMBL3290447) Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c3ccc(C)cc3oc12 |r| Show InChI InChI=1S/C27H29Cl2N3O2/c1-14(2)18-8-5-15(3)11-21(18)30-27(33)24-26-25(19-9-6-16(4)12-23(19)34-26)32(31-24)22-10-7-17(28)13-20(22)29/h6-7,9-10,12-15,18,21H,5,8,11H2,1-4H3,(H,30,33)/t15-,18+,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55,940 from CB2 receptor in CD1 mouse spleen homogenate after 1 hr by liquid scintillation counting analysis				Eur J Med Chem 82: 281-92 (2014) Article DOI: 10.1016/j.ejmech.2014.05.055 BindingDB Entry DOI: 10.7270/Q2D2206G
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50020600 (CHEMBL3290450) Show SMILES Cc1ccc2c(c1)oc1c(nn(-c3ccc(Cl)cc3Cl)c21)C(=O)N[C@H]1C2(C)CCC(C2)C1(C)C |r| Show InChI InChI=1S/C27H27Cl2N3O2/c1-14-5-7-17-20(11-14)34-23-21(31-32(22(17)23)19-8-6-16(28)12-18(19)29)24(33)30-25-26(2,3)15-9-10-27(25,4)13-15/h5-8,11-12,15,25H,9-10,13H2,1-4H3,(H,30,33)/t15?,25-,27?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55,940 from CB2 receptor in CD1 mouse spleen homogenate after 1 hr by liquid scintillation counting analysis				Eur J Med Chem 82: 281-92 (2014) Article DOI: 10.1016/j.ejmech.2014.05.055 BindingDB Entry DOI: 10.7270/Q2D2206G
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50020599 (CHEMBL3290449) Show SMILES Cc1ccc2c(c1)oc1c(nn(-c3ccc(Cl)cc3Cl)c21)C(=O)N[C@H]1CC2CC[C@]1(C)C2(C)C |r| Show InChI InChI=1S/C27H27Cl2N3O2/c1-14-5-7-17-20(11-14)34-24-22(31-32(23(17)24)19-8-6-16(28)13-18(19)29)25(33)30-21-12-15-9-10-27(21,4)26(15,2)3/h5-8,11,13,15,21H,9-10,12H2,1-4H3,(H,30,33)/t15?,21-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55,940 from CB2 receptor in CD1 mouse spleen homogenate after 1 hr by liquid scintillation counting analysis				Eur J Med Chem 82: 281-92 (2014) Article DOI: 10.1016/j.ejmech.2014.05.055 BindingDB Entry DOI: 10.7270/Q2D2206G
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50020598 (CHEMBL3290448) Show SMILES C[C@@H]1C2CC(C[C@H]1NC(=O)c1nn(-c3ccc(Cl)cc3Cl)c3c1oc1cc(C)ccc31)C2(C)C |r| Show InChI InChI=1S/C27H27Cl2N3O2/c1-13-5-7-17-22(9-13)34-25-23(31-32(24(17)25)21-8-6-16(28)12-19(21)29)26(33)30-20-11-15-10-18(14(20)2)27(15,3)4/h5-9,12,14-15,18,20H,10-11H2,1-4H3,(H,30,33)/t14-,15?,18?,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55,940 from CB2 receptor in CD1 mouse spleen homogenate after 1 hr by liquid scintillation counting analysis				Eur J Med Chem 82: 281-92 (2014) Article DOI: 10.1016/j.ejmech.2014.05.055 BindingDB Entry DOI: 10.7270/Q2D2206G
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50020591 (CHEMBL3290442) Show SMILES Cc1ccc2c(c1)oc1c(nn(-c3ccc(Cl)cc3Cl)c21)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H20Cl2N4O2/c1-13-5-7-15-18(11-13)30-21-19(22(29)26-27-9-3-2-4-10-27)25-28(20(15)21)17-8-6-14(23)12-16(17)24/h5-8,11-12H,2-4,9-10H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55,940 from CB2 receptor in CD1 mouse spleen homogenate after 1 hr by liquid scintillation counting analysis				Eur J Med Chem 82: 281-92 (2014) Article DOI: 10.1016/j.ejmech.2014.05.055 BindingDB Entry DOI: 10.7270/Q2D2206G
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50020594 (CHEMBL3290444) Show SMILES Cc1ccc2c(c1)oc1c(nn(-c3ccc(Cl)cc3Cl)c21)C(=O)NC1CCCCC1 Show InChI InChI=1S/C23H21Cl2N3O2/c1-13-7-9-16-19(11-13)30-22-20(23(29)26-15-5-3-2-4-6-15)27-28(21(16)22)18-10-8-14(24)12-17(18)25/h7-12,15H,2-6H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55,940 from CB2 receptor in CD1 mouse spleen homogenate after 1 hr by liquid scintillation counting analysis				Eur J Med Chem 82: 281-92 (2014) Article DOI: 10.1016/j.ejmech.2014.05.055 BindingDB Entry DOI: 10.7270/Q2D2206G
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50020595 (CHEMBL3290445) Show SMILES Cc1ccc2c(c1)oc1c(nn(-c3ccc(Cl)cc3Cl)c21)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:23:24:26:30.28.29,THB:28:27:24:30.29.31,28:29:26.27.33:24,23:24:26.27.33:30.29.31,31:29:26:33.32.24,31:32:26:30.28.29,(4.16,-12.51,;5.31,-11.47,;4.98,-9.97,;6.13,-8.94,;7.6,-9.42,;7.91,-10.92,;6.77,-11.96,;9.44,-11.08,;10.07,-9.68,;11.41,-8.91,;11.09,-7.4,;9.55,-7.24,;8.78,-5.9,;9.55,-4.57,;8.78,-3.24,;7.24,-3.24,;6.47,-1.9,;6.47,-4.57,;7.24,-5.9,;6.47,-7.24,;8.93,-8.65,;12.81,-9.53,;12.97,-11.07,;14.06,-8.63,;15.47,-9.26,;15.48,-10.66,;14.35,-11.86,;15.76,-11.47,;17.09,-12,;18.04,-10.8,;16.72,-11.12,;18.06,-9.35,;16.73,-8.81,;15.75,-9.97,)| Show InChI InChI=1S/C27H25Cl2N3O2/c1-13-2-4-19-22(6-13)34-26-24(31-32(25(19)26)21-5-3-18(28)12-20(21)29)27(33)30-23-16-8-14-7-15(10-16)11-17(23)9-14/h2-6,12,14-17,23H,7-11H2,1H3,(H,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55,940 from CB2 receptor in CD1 mouse spleen homogenate after 1 hr by liquid scintillation counting analysis				Eur J Med Chem 82: 281-92 (2014) Article DOI: 10.1016/j.ejmech.2014.05.055 BindingDB Entry DOI: 10.7270/Q2D2206G
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50020596 (CHEMBL3290446) Show SMILES Cc1ccc2c(c1)oc1c(nn(-c3ccc(Cl)cc3Cl)c21)C(=O)NC12CC3CC(CC(C3)C1)C2 |THB:29:28:25:31.30.32,29:30:27.28.33:25,32:30:27:33.24.25,32:24:27:31.29.30| Show InChI InChI=1S/C27H25Cl2N3O2/c1-14-2-4-19-22(6-14)34-25-23(31-32(24(19)25)21-5-3-18(28)10-20(21)29)26(33)30-27-11-15-7-16(12-27)9-17(8-15)13-27/h2-6,10,15-17H,7-9,11-13H2,1H3,(H,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55,940 from CB2 receptor in CD1 mouse spleen homogenate after 1 hr by liquid scintillation counting analysis				Eur J Med Chem 82: 281-92 (2014) Article DOI: 10.1016/j.ejmech.2014.05.055 BindingDB Entry DOI: 10.7270/Q2D2206G
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50020592 (CHEMBL3286437) Show SMILES Cc1ccc2c(c1)oc1c(nn(-c3ccc(Cl)cc3Cl)c21)C(=O)NN1CCCC1 Show InChI InChI=1S/C21H18Cl2N4O2/c1-12-4-6-14-17(10-12)29-20-18(21(28)25-26-8-2-3-9-26)24-27(19(14)20)16-7-5-13(22)11-15(16)23/h4-7,10-11H,2-3,8-9H2,1H3,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55,940 from CB2 receptor in CD1 mouse spleen homogenate after 1 hr by liquid scintillation counting analysis				Eur J Med Chem 82: 281-92 (2014) Article DOI: 10.1016/j.ejmech.2014.05.055 BindingDB Entry DOI: 10.7270/Q2D2206G
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50020593 (CHEMBL3290443) Show SMILES Cc1ccc2c(c1)oc1c(nn(-c3ccc(Cl)cc3Cl)c21)C(=O)NN1CCOCC1 Show InChI InChI=1S/C21H18Cl2N4O3/c1-12-2-4-14-17(10-12)30-20-18(21(28)25-26-6-8-29-9-7-26)24-27(19(14)20)16-5-3-13(22)11-15(16)23/h2-5,10-11H,6-9H2,1H3,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55,940 from CB2 receptor in CD1 mouse spleen homogenate after 1 hr by liquid scintillation counting analysis				Eur J Med Chem 82: 281-92 (2014) Article DOI: 10.1016/j.ejmech.2014.05.055 BindingDB Entry DOI: 10.7270/Q2D2206G
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50020597 (CHEMBL3290447) Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c3ccc(C)cc3oc12 |r| Show InChI InChI=1S/C27H29Cl2N3O2/c1-14(2)18-8-5-15(3)11-21(18)30-27(33)24-26-25(19-9-6-16(4)12-23(19)34-26)32(31-24)22-10-7-17(28)13-20(22)29/h6-7,9-10,12-15,18,21H,5,8,11H2,1-4H3,(H,30,33)/t15-,18+,21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55,940 from CB1 receptor in CD1 mouse cerebellum-less brain homogenate after 1 hr by liquid scintillation counting analysis				Eur J Med Chem 82: 281-92 (2014) Article DOI: 10.1016/j.ejmech.2014.05.055 BindingDB Entry DOI: 10.7270/Q2D2206G
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50180022 (5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...) Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1 |THB:21:22:26.25:28| Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55,940 from CB1 receptor (unknown origin)				Eur J Med Chem 82: 281-92 (2014) Article DOI: 10.1016/j.ejmech.2014.05.055 BindingDB Entry DOI: 10.7270/Q2D2206G
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50020600 (CHEMBL3290450) Show SMILES Cc1ccc2c(c1)oc1c(nn(-c3ccc(Cl)cc3Cl)c21)C(=O)N[C@H]1C2(C)CCC(C2)C1(C)C |r| Show InChI InChI=1S/C27H27Cl2N3O2/c1-14-5-7-17-20(11-14)34-23-21(31-32(22(17)23)19-8-6-16(28)12-18(19)29)24(33)30-25-26(2,3)15-9-10-27(25,4)13-15/h5-8,11-12,15,25H,9-10,13H2,1-4H3,(H,30,33)/t15?,25-,27?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	257	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55,940 from CB1 receptor in CD1 mouse cerebellum-less brain homogenate after 1 hr by liquid scintillation counting analysis				Eur J Med Chem 82: 281-92 (2014) Article DOI: 10.1016/j.ejmech.2014.05.055 BindingDB Entry DOI: 10.7270/Q2D2206G
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50200169 (6-methyl-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl...) Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)c1 Show InChI InChI=1S/C23H22Cl2N4O/c1-14-5-7-17-15(11-14)12-18-21(23(30)27-28-9-3-2-4-10-28)26-29(22(17)18)20-8-6-16(24)13-19(20)25/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	363	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Binding affinity to CB1 receptor (unknown origin)				Eur J Med Chem 82: 281-92 (2014) Article DOI: 10.1016/j.ejmech.2014.05.055 BindingDB Entry DOI: 10.7270/Q2D2206G
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50020596 (CHEMBL3290446) Show SMILES Cc1ccc2c(c1)oc1c(nn(-c3ccc(Cl)cc3Cl)c21)C(=O)NC12CC3CC(CC(C3)C1)C2 |THB:29:28:25:31.30.32,29:30:27.28.33:25,32:30:27:33.24.25,32:24:27:31.29.30| Show InChI InChI=1S/C27H25Cl2N3O2/c1-14-2-4-19-22(6-14)34-25-23(31-32(24(19)25)21-5-3-18(28)10-20(21)29)26(33)30-27-11-15-7-16(12-27)9-17(8-15)13-27/h2-6,10,15-17H,7-9,11-13H2,1H3,(H,30,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	363	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55,940 from CB1 receptor in CD1 mouse cerebellum-less brain homogenate after 1 hr by liquid scintillation counting analysis				Eur J Med Chem 82: 281-92 (2014) Article DOI: 10.1016/j.ejmech.2014.05.055 BindingDB Entry DOI: 10.7270/Q2D2206G
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50020599 (CHEMBL3290449) Show SMILES Cc1ccc2c(c1)oc1c(nn(-c3ccc(Cl)cc3Cl)c21)C(=O)N[C@H]1CC2CC[C@]1(C)C2(C)C |r| Show InChI InChI=1S/C27H27Cl2N3O2/c1-14-5-7-17-20(11-14)34-24-22(31-32(23(17)24)19-8-6-16(28)13-18(19)29)25(33)30-21-12-15-9-10-27(21,4)26(15,2)3/h5-8,11,13,15,21H,9-10,12H2,1-4H3,(H,30,33)/t15?,21-,27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	469	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55,940 from CB1 receptor in CD1 mouse cerebellum-less brain homogenate after 1 hr by liquid scintillation counting analysis				Eur J Med Chem 82: 281-92 (2014) Article DOI: 10.1016/j.ejmech.2014.05.055 BindingDB Entry DOI: 10.7270/Q2D2206G
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50326197 (1,9-dimethyl-2,8-dioxo-2,3,8,9-tetrahydro-1H-purin...) Show SMILES Cn1c2nc(=O)n(C)c(N)c2[nH]c1=O Show InChI InChI=1S/C7H9N5O2/c1-11-4(8)3-5(10-7(11)14)12(2)6(13)9-3/h8H2,1-2H3,(H,9,13)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	497	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Binding affinity to adrenergic alpha1D receptor				J Med Chem 53: 6089-99 (2010) Article DOI: 10.1021/jm100490m BindingDB Entry DOI: 10.7270/Q2GX4BS7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50020595 (CHEMBL3290445) Show SMILES Cc1ccc2c(c1)oc1c(nn(-c3ccc(Cl)cc3Cl)c21)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:23:24:26:30.28.29,THB:28:27:24:30.29.31,28:29:26.27.33:24,23:24:26.27.33:30.29.31,31:29:26:33.32.24,31:32:26:30.28.29,(4.16,-12.51,;5.31,-11.47,;4.98,-9.97,;6.13,-8.94,;7.6,-9.42,;7.91,-10.92,;6.77,-11.96,;9.44,-11.08,;10.07,-9.68,;11.41,-8.91,;11.09,-7.4,;9.55,-7.24,;8.78,-5.9,;9.55,-4.57,;8.78,-3.24,;7.24,-3.24,;6.47,-1.9,;6.47,-4.57,;7.24,-5.9,;6.47,-7.24,;8.93,-8.65,;12.81,-9.53,;12.97,-11.07,;14.06,-8.63,;15.47,-9.26,;15.48,-10.66,;14.35,-11.86,;15.76,-11.47,;17.09,-12,;18.04,-10.8,;16.72,-11.12,;18.06,-9.35,;16.73,-8.81,;15.75,-9.97,)| Show InChI InChI=1S/C27H25Cl2N3O2/c1-13-2-4-19-22(6-13)34-26-24(31-32(25(19)26)21-5-3-18(28)12-20(21)29)27(33)30-23-16-8-14-7-15(10-16)11-17(23)9-14/h2-6,12,14-17,23H,7-11H2,1H3,(H,30,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	537	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55,940 from CB1 receptor in CD1 mouse cerebellum-less brain homogenate after 1 hr by liquid scintillation counting analysis				Eur J Med Chem 82: 281-92 (2014) Article DOI: 10.1016/j.ejmech.2014.05.055 BindingDB Entry DOI: 10.7270/Q2D2206G
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50326197 (1,9-dimethyl-2,8-dioxo-2,3,8,9-tetrahydro-1H-purin...) Show SMILES Cn1c2nc(=O)n(C)c(N)c2[nH]c1=O Show InChI InChI=1S/C7H9N5O2/c1-11-4(8)3-5(10-7(11)14)12(2)6(13)9-3/h8H2,1-2H3,(H,9,13)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	758	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Binding affinity to adrenergic alpha1B receptor				J Med Chem 53: 6089-99 (2010) Article DOI: 10.1021/jm100490m BindingDB Entry DOI: 10.7270/Q2GX4BS7
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50326197 (1,9-dimethyl-2,8-dioxo-2,3,8,9-tetrahydro-1H-purin...) Show SMILES Cn1c2nc(=O)n(C)c(N)c2[nH]c1=O Show InChI InChI=1S/C7H9N5O2/c1-11-4(8)3-5(10-7(11)14)12(2)6(13)9-3/h8H2,1-2H3,(H,9,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	885	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Binding affinity to adrenergic alpha1A receptor				J Med Chem 53: 6089-99 (2010) Article DOI: 10.1021/jm100490m BindingDB Entry DOI: 10.7270/Q2GX4BS7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50020594 (CHEMBL3290444) Show SMILES Cc1ccc2c(c1)oc1c(nn(-c3ccc(Cl)cc3Cl)c21)C(=O)NC1CCCCC1 Show InChI InChI=1S/C23H21Cl2N3O2/c1-13-7-9-16-19(11-13)30-22-20(23(29)26-15-5-3-2-4-6-15)27-28(21(16)22)18-10-8-14(24)12-17(18)25/h7-12,15H,2-6H2,1H3,(H,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55,940 from CB1 receptor in CD1 mouse cerebellum-less brain homogenate after 1 hr by liquid scintillation counting analysis				Eur J Med Chem 82: 281-92 (2014) Article DOI: 10.1016/j.ejmech.2014.05.055 BindingDB Entry DOI: 10.7270/Q2D2206G
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50020591 (CHEMBL3290442) Show SMILES Cc1ccc2c(c1)oc1c(nn(-c3ccc(Cl)cc3Cl)c21)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H20Cl2N4O2/c1-13-5-7-15-18(11-13)30-21-19(22(29)26-27-9-3-2-4-10-27)25-28(20(15)21)17-8-6-14(23)12-16(17)24/h5-8,11-12H,2-4,9-10H2,1H3,(H,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.79E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55,940 from CB1 receptor in CD1 mouse cerebellum-less brain homogenate after 1 hr by liquid scintillation counting analysis				Eur J Med Chem 82: 281-92 (2014) Article DOI: 10.1016/j.ejmech.2014.05.055 BindingDB Entry DOI: 10.7270/Q2D2206G
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50326197 (1,9-dimethyl-2,8-dioxo-2,3,8,9-tetrahydro-1H-purin...) Show SMILES Cn1c2nc(=O)n(C)c(N)c2[nH]c1=O Show InChI InChI=1S/C7H9N5O2/c1-11-4(8)3-5(10-7(11)14)12(2)6(13)9-3/h8H2,1-2H3,(H,9,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Binding affinity to kappa opioid receptor				J Med Chem 53: 6089-99 (2010) Article DOI: 10.1021/jm100490m BindingDB Entry DOI: 10.7270/Q2GX4BS7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50020598 (CHEMBL3290448) Show SMILES C[C@@H]1C2CC(C[C@H]1NC(=O)c1nn(-c3ccc(Cl)cc3Cl)c3c1oc1cc(C)ccc31)C2(C)C |r| Show InChI InChI=1S/C27H27Cl2N3O2/c1-13-5-7-17-22(9-13)34-25-23(31-32(24(17)25)21-8-6-16(28)12-19(21)29)26(33)30-20-11-15-10-18(14(20)2)27(15,3)4/h5-9,12,14-15,18,20H,10-11H2,1-4H3,(H,30,33)/t14-,15?,18?,20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55,940 from CB1 receptor in CD1 mouse cerebellum-less brain homogenate after 1 hr by liquid scintillation counting analysis				Eur J Med Chem 82: 281-92 (2014) Article DOI: 10.1016/j.ejmech.2014.05.055 BindingDB Entry DOI: 10.7270/Q2D2206G
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50020592 (CHEMBL3286437) Show SMILES Cc1ccc2c(c1)oc1c(nn(-c3ccc(Cl)cc3Cl)c21)C(=O)NN1CCCC1 Show InChI InChI=1S/C21H18Cl2N4O2/c1-12-4-6-14-17(10-12)29-20-18(21(28)25-26-8-2-3-9-26)24-27(19(14)20)16-7-5-13(22)11-15(16)23/h4-7,10-11H,2-3,8-9H2,1H3,(H,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.72E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55,940 from CB1 receptor in CD1 mouse cerebellum-less brain homogenate after 1 hr by liquid scintillation counting analysis				Eur J Med Chem 82: 281-92 (2014) Article DOI: 10.1016/j.ejmech.2014.05.055 BindingDB Entry DOI: 10.7270/Q2D2206G
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1E (Homo sapiens (Human))	BDBM50326197 (1,9-dimethyl-2,8-dioxo-2,3,8,9-tetrahydro-1H-purin...) Show SMILES Cn1c2nc(=O)n(C)c(N)c2[nH]c1=O Show InChI InChI=1S/C7H9N5O2/c1-11-4(8)3-5(10-7(11)14)12(2)6(13)9-3/h8H2,1-2H3,(H,9,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Binding affinity to 5HT1E receptor				J Med Chem 53: 6089-99 (2010) Article DOI: 10.1021/jm100490m BindingDB Entry DOI: 10.7270/Q2GX4BS7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50020593 (CHEMBL3290443) Show SMILES Cc1ccc2c(c1)oc1c(nn(-c3ccc(Cl)cc3Cl)c21)C(=O)NN1CCOCC1 Show InChI InChI=1S/C21H18Cl2N4O3/c1-12-2-4-14-17(10-12)30-20-18(21(28)25-26-6-8-29-9-7-26)24-27(19(14)20)16-5-3-13(22)11-15(16)23/h2-5,10-11H,6-9H2,1H3,(H,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55,940 from CB1 receptor in CD1 mouse cerebellum-less brain homogenate after 1 hr by liquid scintillation counting analysis				Eur J Med Chem 82: 281-92 (2014) Article DOI: 10.1016/j.ejmech.2014.05.055 BindingDB Entry DOI: 10.7270/Q2D2206G
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-2 (Homo sapiens (Human))	BDBM50326197 (1,9-dimethyl-2,8-dioxo-2,3,8,9-tetrahydro-1H-purin...) Show SMILES Cn1c2nc(=O)n(C)c(N)c2[nH]c1=O Show InChI InChI=1S/C7H9N5O2/c1-11-4(8)3-5(10-7(11)14)12(2)6(13)9-3/h8H2,1-2H3,(H,9,13)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Binding affinity to nicotinic alpha3beta2 receptor receptor				J Med Chem 53: 6089-99 (2010) Article DOI: 10.1021/jm100490m BindingDB Entry DOI: 10.7270/Q2GX4BS7
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50326197 (1,9-dimethyl-2,8-dioxo-2,3,8,9-tetrahydro-1H-purin...) Show SMILES Cn1c2nc(=O)n(C)c(N)c2[nH]c1=O Show InChI InChI=1S/C7H9N5O2/c1-11-4(8)3-5(10-7(11)14)12(2)6(13)9-3/h8H2,1-2H3,(H,9,13)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Binding affinity to mu opioid receptor				J Med Chem 53: 6089-99 (2010) Article DOI: 10.1021/jm100490m BindingDB Entry DOI: 10.7270/Q2GX4BS7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50426601 (CHEMBL2325895) Show SMILES CC(C)(C)[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CC(C1)C#N |r| Show InChI InChI=1S/C20H24N6O2/c1-20(2,3)16(19(28)26-9-11(6-21)10-26)25-18(27)13-7-22-17-15(13)24-14(8-23-17)12-4-5-12/h7-8,11-12,16H,4-5,9-10H2,1-3H3,(H,22,23)(H,25,27)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured afte...				J Med Chem 56: 345-56 (2013) Article DOI: 10.1021/jm301646k BindingDB Entry DOI: 10.7270/Q2Q241JX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50426599 (CHEMBL2325898) Show SMILES O=C(N[C@H](C1CC1)C(=O)N1CC[C@@H](C1)C#N)c1c[nH]c2ncc(nc12)C1CC1 |r| Show InChI InChI=1S/C20H22N6O2/c21-7-11-5-6-26(10-11)20(28)16(13-3-4-13)25-19(27)14-8-22-18-17(14)24-15(9-23-18)12-1-2-12/h8-9,11-13,16H,1-6,10H2,(H,22,23)(H,25,27)/t11-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured afte...				J Med Chem 56: 345-56 (2013) Article DOI: 10.1021/jm301646k BindingDB Entry DOI: 10.7270/Q2Q241JX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50426607 (CHEMBL2325897) Show SMILES O=C(N[C@H](C1CC1)C(=O)N1CC[C@H](C1)C#N)c1c[nH]c2ncc(nc12)C1CC1 |r| Show InChI InChI=1S/C20H22N6O2/c21-7-11-5-6-26(10-11)20(28)16(13-3-4-13)25-19(27)14-8-22-18-17(14)24-15(9-23-18)12-1-2-12/h8-9,11-13,16H,1-6,10H2,(H,22,23)(H,25,27)/t11-,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured afte...				J Med Chem 56: 345-56 (2013) Article DOI: 10.1021/jm301646k BindingDB Entry DOI: 10.7270/Q2Q241JX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50426599 (CHEMBL2325898) Show SMILES O=C(N[C@H](C1CC1)C(=O)N1CC[C@@H](C1)C#N)c1c[nH]c2ncc(nc12)C1CC1 |r| Show InChI InChI=1S/C20H22N6O2/c21-7-11-5-6-26(10-11)20(28)16(13-3-4-13)25-19(27)14-8-22-18-17(14)24-15(9-23-18)12-1-2-12/h8-9,11-13,16H,1-6,10H2,(H,22,23)(H,25,27)/t11-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured afte...				J Med Chem 56: 345-56 (2013) Article DOI: 10.1021/jm301646k BindingDB Entry DOI: 10.7270/Q2Q241JX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50426599 (CHEMBL2325898) Show SMILES O=C(N[C@H](C1CC1)C(=O)N1CC[C@@H](C1)C#N)c1c[nH]c2ncc(nc12)C1CC1 |r| Show InChI InChI=1S/C20H22N6O2/c21-7-11-5-6-26(10-11)20(28)16(13-3-4-13)25-19(27)14-8-22-18-17(14)24-15(9-23-18)12-1-2-12/h8-9,11-13,16H,1-6,10H2,(H,22,23)(H,25,27)/t11-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured afte...				J Med Chem 56: 345-56 (2013) Article DOI: 10.1021/jm301646k BindingDB Entry DOI: 10.7270/Q2Q241JX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50426601 (CHEMBL2325895) Show SMILES CC(C)(C)[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CC(C1)C#N |r| Show InChI InChI=1S/C20H24N6O2/c1-20(2,3)16(19(28)26-9-11(6-21)10-26)25-18(27)13-7-22-17-15(13)24-14(8-23-17)12-4-5-12/h7-8,11-12,16H,4-5,9-10H2,1-3H3,(H,22,23)(H,25,27)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured afte...				J Med Chem 56: 345-56 (2013) Article DOI: 10.1021/jm301646k BindingDB Entry DOI: 10.7270/Q2Q241JX
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50341370 (6-(2,4-Difluorophenoxy)-8-(1-methanesulfonyl-piper...) Show SMILES CS(=O)(=O)N1CCC(CC1)n1c2nc(NC3CCOCC3)ncc2cc(Oc2ccc(F)cc2F)c1=O Show InChI InChI=1S/C24H27F2N5O5S/c1-37(33,34)30-8-4-18(5-9-30)31-22-15(14-27-24(29-22)28-17-6-10-35-11-7-17)12-21(23(31)32)36-20-3-2-16(25)13-19(20)26/h2-3,12-14,17-18H,4-11H2,1H3,(H,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of human recombinant p38alpha assessed as incorporation of 33P from gamma-[33P]ATP into myelin basic protein after 30 mins by scintillatio...				J Med Chem 54: 2255-65 (2011) Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50341361 (6-(2,4-Difluorophenoxy)-8-ethyl-2-(tetrahydro-2H-p...) Show SMILES CCn1c2nc(NC3CCOCC3)ncc2cc(Oc2ccc(F)cc2F)c1=O Show InChI InChI=1S/C20H20F2N4O3/c1-2-26-18-12(11-23-20(25-18)24-14-5-7-28-8-6-14)9-17(19(26)27)29-16-4-3-13(21)10-15(16)22/h3-4,9-11,14H,2,5-8H2,1H3,(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of human recombinant p38alpha assessed as incorporation of 33P from gamma-[33P]ATP into myelin basic protein after 30 mins by scintillatio...				J Med Chem 54: 2255-65 (2011) Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50341366 (6-(2,4-Difluorophenoxy)-8-(1,1-dioxo-hexahydro-thi...) Show SMILES Fc1ccc(Oc2cc3cnc(NC4CCOCC4)nc3n(C3CCS(=O)(=O)CC3)c2=O)c(F)c1 Show InChI InChI=1S/C23H24F2N4O5S/c24-15-1-2-19(18(25)12-15)34-20-11-14-13-26-23(27-16-3-7-33-8-4-16)28-21(14)29(22(20)30)17-5-9-35(31,32)10-6-17/h1-2,11-13,16-17H,3-10H2,(H,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of human recombinant p38alpha assessed as incorporation of 33P from gamma-[33P]ATP into myelin basic protein after 30 mins by scintillatio...				J Med Chem 54: 2255-65 (2011) Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50341350 (2-(1-Acetyl-piperidin-4-ylamino)-6-(2,4-difluoroph...) Show SMILES CC(=O)N1CCC(CC1)Nc1ncc2cc(Oc3ccc(F)cc3F)c(=O)n(C)c2n1 Show InChI InChI=1S/C21H21F2N5O3/c1-12(29)28-7-5-15(6-8-28)25-21-24-11-13-9-18(20(30)27(2)19(13)26-21)31-17-4-3-14(22)10-16(17)23/h3-4,9-11,15H,5-8H2,1-2H3,(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of human recombinant p38alpha assessed as incorporation of 33P from gamma-[33P]ATP into myelin basic protein after 30 mins by scintillatio...				J Med Chem 54: 2255-65 (2011) Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50426606 (CHEMBL2325903) Show SMILES C[C@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(C)(C)C |r| Show InChI InChI=1S/C16H22N4O/c1-9(16(2,3)4)19-15(21)11-7-17-14-13(11)20-12(8-18-14)10-5-6-10/h7-10H,5-6H2,1-4H3,(H,17,18)(H,19,21)/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured afte...				J Med Chem 56: 345-56 (2013) Article DOI: 10.1021/jm301646k BindingDB Entry DOI: 10.7270/Q2Q241JX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50193995 (3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...) Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured afte...				J Med Chem 56: 345-56 (2013) Article DOI: 10.1021/jm301646k BindingDB Entry DOI: 10.7270/Q2Q241JX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50426604 (CHEMBL2325906) Show SMILES C[C@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(C)(C)C#N |r| Show InChI InChI=1S/C16H19N5O/c1-9(16(2,3)8-17)20-15(22)11-6-18-14-13(11)21-12(7-19-14)10-4-5-10/h6-7,9-10H,4-5H2,1-3H3,(H,18,19)(H,20,22)/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured afte...				J Med Chem 56: 345-56 (2013) Article DOI: 10.1021/jm301646k BindingDB Entry DOI: 10.7270/Q2Q241JX
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50341369 (CHEMBL1766506 | [6-(2,4-Difluorophenoxy)-7-oxo-2-(...) Show SMILES Fc1ccc(Oc2cc3cnc(NC4CCOCC4)nc3n(CC#N)c2=O)c(F)c1 Show InChI InChI=1S/C20H17F2N5O3/c21-13-1-2-16(15(22)10-13)30-17-9-12-11-24-20(25-14-3-7-29-8-4-14)26-18(12)27(6-5-23)19(17)28/h1-2,9-11,14H,3-4,6-8H2,(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of human recombinant p38alpha assessed as incorporation of 33P from gamma-[33P]ATP into myelin basic protein after 30 mins by scintillatio...				J Med Chem 54: 2255-65 (2011) Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50341363 (6-(2,4-Difluorophenoxy)-8-(3-hydroxy-propyl)-2-(te...) Show SMILES OCCCn1c2nc(NC3CCOCC3)ncc2cc(Oc2ccc(F)cc2F)c1=O Show InChI InChI=1S/C21H22F2N4O4/c22-14-2-3-17(16(23)11-14)31-18-10-13-12-24-21(25-15-4-8-30-9-5-15)26-19(13)27(20(18)29)6-1-7-28/h2-3,10-12,15,28H,1,4-9H2,(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of human recombinant p38alpha assessed as incorporation of 33P from gamma-[33P]ATP into myelin basic protein after 30 mins by scintillatio...				J Med Chem 54: 2255-65 (2011) Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50341356 (6-(2,4-Difluorophenoxy)-8-methyl-2-((S)-1-methyl-2...) Show SMILES C[C@@H](Cn1ncnn1)Nc1ncc2cc(Oc3ccc(F)cc3F)c(=O)n(C)c2n1 |r| Show InChI InChI=1S/C18H16F2N8O2/c1-10(8-28-23-9-22-26-28)24-18-21-7-11-5-15(17(29)27(2)16(11)25-18)30-14-4-3-12(19)6-13(14)20/h3-7,9-10H,8H2,1-2H3,(H,21,24,25)/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of human recombinant p38alpha assessed as incorporation of 33P from gamma-[33P]ATP into myelin basic protein after 30 mins by scintillatio...				J Med Chem 54: 2255-65 (2011) Article DOI: 10.1021/jm101423y BindingDB Entry DOI: 10.7270/Q20P109X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50193995 (3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...) Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured afte...				J Med Chem 56: 345-56 (2013) Article DOI: 10.1021/jm301646k BindingDB Entry DOI: 10.7270/Q2Q241JX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50426601 (CHEMBL2325895) Show SMILES CC(C)(C)[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CC(C1)C#N |r| Show InChI InChI=1S/C20H24N6O2/c1-20(2,3)16(19(28)26-9-11(6-21)10-26)25-18(27)13-7-22-17-15(13)24-14(8-23-17)12-4-5-12/h7-8,11-12,16H,4-5,9-10H2,1-3H3,(H,22,23)(H,25,27)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured afte...				J Med Chem 56: 345-56 (2013) Article DOI: 10.1021/jm301646k BindingDB Entry DOI: 10.7270/Q2Q241JX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50193995 (3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...) Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured afte...				J Med Chem 56: 345-56 (2013) Article DOI: 10.1021/jm301646k BindingDB Entry DOI: 10.7270/Q2Q241JX
					More data for this Ligand-Target Pair				3D Structure (crystal)

Displayed 1 to 50 (of 206 total )  |  Next  |  Last  >>

Jump to: