Compile Data Set for Download or QSAR

Found 3154 hits with Last Name = 'kong' and Initial = 'n'   

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
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50111887 (1-{3-[4-((Z)-2-Iodo-propenyl)-phenyl]-8-aza-bicycl...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(\C=C(\C)I)cc1)N2 |THB:2:4:21:6.7| Show InChI InChI=1S/C19H24INO/c1-3-18(22)19-16(11-15-8-9-17(19)21-15)14-6-4-13(5-7-14)10-12(2)20/h4-7,10,15-17,19,21H,3,8-9,11H2,1-2H3/b12-10-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Tested for the ability to displace [3H]- paroxetine binding in rat frontal cortex membrane against Serotonin transporter				Bioorg Med Chem Lett 12: 845-7 (2002) BindingDB Entry DOI: 10.7270/Q25M6515
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50111894 (1-{3-[4-((E)-2-Iodo-propenyl)-phenyl]-8-aza-bicycl...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(\C=C(/C)I)cc1)N2 |THB:2:4:21:6.7| Show InChI InChI=1S/C19H24INO/c1-3-18(22)19-16(11-15-8-9-17(19)21-15)14-6-4-13(5-7-14)10-12(2)20/h4-7,10,15-17,19,21H,3,8-9,11H2,1-2H3/b12-10+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Tested for the ability to displace [3H]- paroxetine binding in rat frontal cortex membrane against Serotonin transporter				Bioorg Med Chem Lett 12: 845-7 (2002) BindingDB Entry DOI: 10.7270/Q25M6515
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50111881 (1-{3-[4-((E)-2-Iodo-vinyl)-phenyl]-8-aza-bicyclo[3...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(\C=C\I)cc1)N2 |THB:2:4:20:6.7| Show InChI InChI=1S/C18H22INO/c1-2-17(21)18-15(11-14-7-8-16(18)20-14)13-5-3-12(4-6-13)9-10-19/h3-6,9-10,14-16,18,20H,2,7-8,11H2,1H3/b10-9+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Tested for the ability to displace [3H]- paroxetine binding in rat frontal cortex membrane against Serotonin transporter				Bioorg Med Chem Lett 12: 845-7 (2002) BindingDB Entry DOI: 10.7270/Q25M6515
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50111893 (1-[3-(3-Chloro-4-iodo-phenyl)-8-aza-bicyclo[3.2.1]...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(I)c(Cl)c1)N2 |THB:2:4:19:6.7| Show InChI InChI=1S/C16H19ClINO/c1-2-15(20)16-11(8-10-4-6-14(16)19-10)9-3-5-13(18)12(17)7-9/h3,5,7,10-11,14,16,19H,2,4,6,8H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Tested for the ability to displace [3H]- paroxetine binding in rat frontal cortex membrane against Serotonin transporter				Bioorg Med Chem Lett 12: 845-7 (2002) BindingDB Entry DOI: 10.7270/Q25M6515
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50096921 (3-[4-(1-Methyl-1H-pyrrol-2-yl)-phenyl]-8-aza-bicyc...) Show SMILES CCOC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccn1C)N2 |THB:3:5:24:7.8,12:11:24:7.8| Show InChI InChI=1S/C21H26N2O2/c1-3-25-21(24)20-17(13-16-10-11-18(20)22-16)14-6-8-15(9-7-14)19-5-4-12-23(19)2/h4-9,12,16-18,20,22H,3,10-11,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]-paroxetine from Serotonin transporter of rat frontal cortex membrane				Bioorg Med Chem Lett 11: 487-9 (2001) BindingDB Entry DOI: 10.7270/Q2M907ZR
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50111889 (1-[3-(3-Chloro-4-iodo-phenyl)-8-methyl-8-aza-bicyc...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(I)c(Cl)c1)N2C |TLB:20:19:4.10.9:6.7,THB:2:4:19:6.7| Show InChI InChI=1S/C17H21ClINO/c1-3-16(21)17-12(9-11-5-7-15(17)20(11)2)10-4-6-14(19)13(18)8-10/h4,6,8,11-12,15,17H,3,5,7,9H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Tested for the ability to displace [3H]- paroxetine binding in rat frontal cortex membrane against Serotonin transporter				Bioorg Med Chem Lett 12: 845-7 (2002) BindingDB Entry DOI: 10.7270/Q25M6515
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50096922 (3-(1-Methyl-1H-indol-5-yl)-8-aza-bicyclo[3.2.1]oct...) Show SMILES CCOC(=O)C1C2CCC(CC1c1ccc3n(C)ccc3c1)N2 |THB:12:11:22:7.8,3:5:22:7.8| Show InChI InChI=1S/C19H24N2O2/c1-3-23-19(22)18-15(11-14-5-6-16(18)20-14)12-4-7-17-13(10-12)8-9-21(17)2/h4,7-10,14-16,18,20H,3,5-6,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]-paroxetine from Serotonin transporter of rat frontal cortex membrane				Bioorg Med Chem Lett 11: 487-9 (2001) BindingDB Entry DOI: 10.7270/Q2M907ZR
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50111891 (1-[3-(4-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2C |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C17H22INO/c1-3-16(20)17-14(11-4-6-12(18)7-5-11)10-13-8-9-15(17)19(13)2/h4-7,13-15,17H,3,8-10H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Tested for the ability to displace [3H]- paroxetine binding in rat frontal cortex membrane against Serotonin transporter				Bioorg Med Chem Lett 12: 845-7 (2002) BindingDB Entry DOI: 10.7270/Q25M6515
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50111883 (1-[3-(4-Iodo-phenyl)-8-aza-bicyclo[3.2.1]oct-2-yl]...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2 |THB:2:4:18:6.7| Show InChI InChI=1S/C16H20INO/c1-2-15(19)16-13(9-12-7-8-14(16)18-12)10-3-5-11(17)6-4-10/h3-6,12-14,16,18H,2,7-9H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Tested for the ability to displace [3H]- paroxetine binding in rat frontal cortex membrane against Serotonin transporter				Bioorg Med Chem Lett 12: 845-7 (2002) BindingDB Entry DOI: 10.7270/Q25M6515
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50096914 (8-Methyl-3-(1-methyl-1H-indol-5-yl)-8-aza-bicyclo[...) Show SMILES CCOC(=O)C1C2CCC(CC1c1ccc3n(C)ccc3c1)N2C |THB:12:11:22:7.8,3:5:22:7.8| Show InChI InChI=1S/C20H26N2O2/c1-4-24-20(23)19-16(12-15-6-8-18(19)22(15)3)13-5-7-17-14(11-13)9-10-21(17)2/h5,7,9-11,15-16,18-19H,4,6,8,12H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]-paroxetine from Serotonin transporter of rat frontal cortex membrane				Bioorg Med Chem Lett 11: 487-9 (2001) BindingDB Entry DOI: 10.7270/Q2M907ZR
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50111890 (1-{8-((E)-3-Iodo-allyl)-3-[4-(1-methyl-1H-pyrrol-2...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccn1C)N2C\C=C\I |TLB:24:23:4.10.9:6.7,THB:2:4:23:6.7| Show InChI InChI=1S/C24H29IN2O/c1-3-23(28)24-20(16-19-11-12-22(24)27(19)15-5-13-25)17-7-9-18(10-8-17)21-6-4-14-26(21)2/h4-10,13-14,19-20,22,24H,3,11-12,15-16H2,1-2H3/b13-5+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Tested for the ability to displace [3H]- paroxetine binding in rat frontal cortex membrane against Serotonin transporter				Bioorg Med Chem Lett 12: 845-7 (2002) BindingDB Entry DOI: 10.7270/Q25M6515
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50096915 (3-(1-Ethyl-1H-indol-5-yl)-8-aza-bicyclo[3.2.1]octa...) Show SMILES CCOC(=O)C1C2CCC(CC1c1ccc3n(CC)ccc3c1)N2 |THB:12:11:23:7.8,3:5:23:7.8| Show InChI InChI=1S/C20H26N2O2/c1-3-22-10-9-14-11-13(5-8-18(14)22)16-12-15-6-7-17(21-15)19(16)20(23)24-4-2/h5,8-11,15-17,19,21H,3-4,6-7,12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]-paroxetine from Serotonin transporter of rat frontal cortex membrane				Bioorg Med Chem Lett 11: 487-9 (2001) BindingDB Entry DOI: 10.7270/Q2M907ZR
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50096913 (3-(1-Ethyl-1H-indol-5-yl)-8-methyl-8-aza-bicyclo[3...) Show SMILES CCOC(=O)C1C2CCC(CC1c1ccc3n(CC)ccc3c1)N2C |THB:12:11:23:7.8,3:5:23:7.8| Show InChI InChI=1S/C21H28N2O2/c1-4-23-11-10-15-12-14(6-8-18(15)23)17-13-16-7-9-19(22(16)3)20(17)21(24)25-5-2/h6,8,10-12,16-17,19-20H,4-5,7,9,13H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]-paroxetine from Serotonin transporter of rat frontal cortex membrane				Bioorg Med Chem Lett 11: 487-9 (2001) BindingDB Entry DOI: 10.7270/Q2M907ZR
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50096916 (3-[4-(1-Benzyl-1H-pyrrol-2-yl)-phenyl]-8-aza-bicyc...) Show SMILES CCOC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccn1Cc1ccccc1)N2 |THB:3:5:30:7.8,12:11:30:7.8| Show InChI InChI=1S/C27H30N2O2/c1-2-31-27(30)26-23(17-22-14-15-24(26)28-22)20-10-12-21(13-11-20)25-9-6-16-29(25)18-19-7-4-3-5-8-19/h3-13,16,22-24,26,28H,2,14-15,17-18H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]-paroxetine from Serotonin transporter of rat frontal cortex membrane				Bioorg Med Chem Lett 11: 487-9 (2001) BindingDB Entry DOI: 10.7270/Q2M907ZR
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50111886 (1-[3-(3-Fluoro-4-iodo-phenyl)-8-aza-bicyclo[3.2.1]...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(I)c(F)c1)N2 |THB:2:4:19:6.7| Show InChI InChI=1S/C16H19FINO/c1-2-15(20)16-11(8-10-4-6-14(16)19-10)9-3-5-13(18)12(17)7-9/h3,5,7,10-11,14,16,19H,2,4,6,8H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Tested for the ability to displace [3H]- paroxetine binding in rat frontal cortex membrane against Serotonin transporter				Bioorg Med Chem Lett 12: 845-7 (2002) BindingDB Entry DOI: 10.7270/Q25M6515
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50111888 (1-[3-(3-Fluoro-4-iodo-phenyl)-8-methyl-8-aza-bicyc...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(I)c(F)c1)N2C |TLB:20:19:4.10.9:6.7,THB:2:4:19:6.7| Show InChI InChI=1S/C17H21FINO/c1-3-16(21)17-12(9-11-5-7-15(17)20(11)2)10-4-6-14(19)13(18)8-10/h4,6,8,11-12,15,17H,3,5,7,9H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Tested for the ability to displace [3H]- paroxetine binding in rat frontal cortex membrane against Serotonin transporter				Bioorg Med Chem Lett 12: 845-7 (2002) BindingDB Entry DOI: 10.7270/Q25M6515
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50111880 (1-{8-((Z)-3-Iodo-allyl)-3-[4-(1-methyl-1H-pyrrol-2...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccn1C)N2C\C=C/I |TLB:24:23:4.10.9:6.7,THB:2:4:23:6.7| Show InChI InChI=1S/C24H29IN2O/c1-3-23(28)24-20(16-19-11-12-22(24)27(19)15-5-13-25)17-7-9-18(10-8-17)21-6-4-14-26(21)2/h4-10,13-14,19-20,22,24H,3,11-12,15-16H2,1-2H3/b13-5-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Tested for the ability to displace [3H]- paroxetine binding in rat frontal cortex membrane against Serotonin transporter				Bioorg Med Chem Lett 12: 845-7 (2002) BindingDB Entry DOI: 10.7270/Q25M6515
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50111885 (1-[3-(3-Iodo-phenyl)-8-aza-bicyclo[3.2.1]oct-2-yl]...) Show SMILES CCC(=O)C1C2CCC(CC1c1cccc(I)c1)N2 |THB:2:4:18:6.7| Show InChI InChI=1S/C16H20INO/c1-2-15(19)16-13(9-12-6-7-14(16)18-12)10-4-3-5-11(17)8-10/h3-5,8,12-14,16,18H,2,6-7,9H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Tested for the ability to displace [3H]- paroxetine binding in rat frontal cortex membrane against Serotonin transporter				Bioorg Med Chem Lett 12: 845-7 (2002) BindingDB Entry DOI: 10.7270/Q25M6515
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50096926 (3-[4-(1-Ethyl-1H-pyrrol-2-yl)-phenyl]-8-aza-bicycl...) Show SMILES CCOC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccn1CC)N2 |THB:3:5:25:7.8,12:11:25:7.8| Show InChI InChI=1S/C22H28N2O2/c1-3-24-13-5-6-20(24)16-9-7-15(8-10-16)18-14-17-11-12-19(23-17)21(18)22(25)26-4-2/h5-10,13,17-19,21,23H,3-4,11-12,14H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]-paroxetine from Serotonin transporter of rat frontal cortex membrane				Bioorg Med Chem Lett 11: 487-9 (2001) BindingDB Entry DOI: 10.7270/Q2M907ZR
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50111892 (1-[3-(3-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]...) Show SMILES CCC(=O)C1C2CCC(CC1c1cccc(I)c1)N2C |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C17H22INO/c1-3-16(20)17-14(11-5-4-6-12(18)9-11)10-13-7-8-15(17)19(13)2/h4-6,9,13-15,17H,3,7-8,10H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Tested for the ability to displace [3H]- paroxetine binding in rat frontal cortex membrane against Serotonin transporter				Bioorg Med Chem Lett 12: 845-7 (2002) BindingDB Entry DOI: 10.7270/Q25M6515
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50096919 (8-Methyl-3-[4-(1-methyl-1H-pyrrol-2-yl)-phenyl]-8-...) Show SMILES CCOC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccn1C)N2C |THB:3:5:24:7.8,12:11:24:7.8| Show InChI InChI=1S/C22H28N2O2/c1-4-26-22(25)21-18(14-17-11-12-20(21)24(17)3)15-7-9-16(10-8-15)19-6-5-13-23(19)2/h5-10,13,17-18,20-21H,4,11-12,14H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]-paroxetine from Serotonin transporter of rat frontal cortex membrane				Bioorg Med Chem Lett 11: 487-9 (2001) BindingDB Entry DOI: 10.7270/Q2M907ZR
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50096918 (3-[4-(1,3-Dimethyl-1H-pyrrol-2-yl)-phenyl]-8-aza-b...) Show SMILES CCOC(=O)C1C2CCC(CC1c1ccc(cc1)-c1c(C)ccn1C)N2 |THB:3:5:25:7.8,12:11:25:7.8| Show InChI InChI=1S/C22H28N2O2/c1-4-26-22(25)20-18(13-17-9-10-19(20)23-17)15-5-7-16(8-6-15)21-14(2)11-12-24(21)3/h5-8,11-12,17-20,23H,4,9-10,13H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]-paroxetine from Serotonin transporter of rat frontal cortex membrane				Bioorg Med Chem Lett 11: 487-9 (2001) BindingDB Entry DOI: 10.7270/Q2M907ZR
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50096923 (3-[4-(1,5-Dimethyl-1H-pyrrol-2-yl)-phenyl]-8-aza-b...) Show SMILES CCOC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccc(C)n1C)N2 |THB:3:5:25:7.8,12:11:25:7.8| Show InChI InChI=1S/C22H28N2O2/c1-4-26-22(25)21-18(13-17-10-11-19(21)23-17)15-6-8-16(9-7-15)20-12-5-14(2)24(20)3/h5-9,12,17-19,21,23H,4,10-11,13H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]-paroxetine from Serotonin transporter of rat frontal cortex membrane				Bioorg Med Chem Lett 11: 487-9 (2001) BindingDB Entry DOI: 10.7270/Q2M907ZR
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50111882 ((E)-5-Iodo-1-(8-methyl-3-p-tolyl-8-aza-bicyclo[3.2...) Show SMILES CN1C2CCC1C(C(C2)c1ccc(C)cc1)C(=O)CC\C=C\I |TLB:16:6:1:4.3,0:1:6.7.8:4.3| Show InChI InChI=1S/C20H26INO/c1-14-6-8-15(9-7-14)17-13-16-10-11-18(22(16)2)20(17)19(23)5-3-4-12-21/h4,6-9,12,16-18,20H,3,5,10-11,13H2,1-2H3/b12-4+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Tested for the ability to displace [3H]- paroxetine binding in rat frontal cortex membrane against Serotonin transporter				Bioorg Med Chem Lett 12: 845-7 (2002) BindingDB Entry DOI: 10.7270/Q25M6515
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50096920 (3-[4-(1-Benzyl-1H-pyrrol-2-yl)-phenyl]-8-methyl-8-...) Show SMILES CCOC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccn1Cc1ccccc1)N2C |THB:3:5:30:7.8,12:11:30:7.8| Show InChI InChI=1S/C28H32N2O2/c1-3-32-28(31)27-24(18-23-15-16-26(27)29(23)2)21-11-13-22(14-12-21)25-10-7-17-30(25)19-20-8-5-4-6-9-20/h4-14,17,23-24,26-27H,3,15-16,18-19H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]-paroxetine from Serotonin transporter of rat frontal cortex membrane				Bioorg Med Chem Lett 11: 487-9 (2001) BindingDB Entry DOI: 10.7270/Q2M907ZR
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50096925 (3-[4-(1-Methyl-5-phenyl-1H-pyrrol-2-yl)-phenyl]-8-...) Show SMILES CCOC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccc(-c3ccccc3)n1C)N2 |THB:3:5:30:7.8,12:11:30:7.8| Show InChI InChI=1S/C27H30N2O2/c1-3-31-27(30)26-22(17-21-13-14-23(26)28-21)18-9-11-20(12-10-18)25-16-15-24(29(25)2)19-7-5-4-6-8-19/h4-12,15-16,21-23,26,28H,3,13-14,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	112	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]-paroxetine from Serotonin transporter of rat frontal cortex membrane				Bioorg Med Chem Lett 11: 487-9 (2001) BindingDB Entry DOI: 10.7270/Q2M907ZR
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50096924 (3-[4-(1-Ethyl-1H-pyrrol-2-yl)-phenyl]-8-methyl-8-a...) Show SMILES CCOC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccn1CC)N2C |THB:3:5:25:7.8,12:11:25:7.8| Show InChI InChI=1S/C23H30N2O2/c1-4-25-14-6-7-20(25)17-10-8-16(9-11-17)19-15-18-12-13-21(24(18)3)22(19)23(26)27-5-2/h6-11,14,18-19,21-22H,4-5,12-13,15H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	337	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]-paroxetine from Serotonin transporter of rat frontal cortex membrane				Bioorg Med Chem Lett 11: 487-9 (2001) BindingDB Entry DOI: 10.7270/Q2M907ZR
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50096917 (3-[4-(1,3-Dimethyl-1H-pyrrol-2-yl)-phenyl]-8-methy...) Show SMILES CCOC(=O)C1C2CCC(CC1c1ccc(cc1)-c1c(C)ccn1C)N2C |THB:3:5:25:7.8,12:11:25:7.8| Show InChI InChI=1S/C23H30N2O2/c1-5-27-23(26)21-19(14-18-10-11-20(21)25(18)4)16-6-8-17(9-7-16)22-15(2)12-13-24(22)3/h6-9,12-13,18-21H,5,10-11,14H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]-paroxetine from Serotonin transporter of rat frontal cortex membrane				Bioorg Med Chem Lett 11: 487-9 (2001) BindingDB Entry DOI: 10.7270/Q2M907ZR
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50451492 (CHEMBL2112943) Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)C(=O)C(C\C=C\I)C\C=C\I |r,TLB:0:1:6.7.8:4.3,16:6:1:4.3| Show InChI InChI=1S/C23H29I2NO/c1-16-7-9-17(10-8-16)20-15-19-11-12-21(26(19)2)22(20)23(27)18(5-3-13-24)6-4-14-25/h3-4,7-10,13-14,18-22H,5-6,11-12,15H2,1-2H3/b13-3+,14-4+/t19?,20-,21?,22+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Tested for the ability to displace [3H]- paroxetine binding in rat frontal cortex membrane against Serotonin transporter				Bioorg Med Chem Lett 12: 845-7 (2002) BindingDB Entry DOI: 10.7270/Q25M6515
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM391013 (4-({1-[(1R,2R))-1- (cyanomethyl)-2- fluorocyclohex...) Show SMILES CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCCC[C@H]2F)cc1 |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	<0.0200	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM390961 ((2S,5S and 2R,5R)-methyl 5-(cyanomethyl)-5-(3-((4...) Show SMILES COC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc(cc2)S(C)(=O)=O)c2c1cc[nH]c2=O |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	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM391314 (Trans 2-(1-(3-((4- chlorophenyl)amino)-4-oxo- 4,5-...) Show SMILES COC1CN(C1)[C@H]1CC[C@@](CC#N)(CC1)n1nc(Nc2ccc(Cl)cc2)c2c1cc[nH]c2=O |r,wU:9.16,wD:6.6,(4.93,8.57,;3.44,8.17,;3.04,6.68,;3.81,5.35,;2.48,4.58,;1.71,5.91,;2.08,3.09,;.59,2.69,;.2,1.2,;1.28,.12,;.02,-.77,;.16,-2.3,;.29,-3.84,;2.77,.51,;3.17,2,;-.2,-.28,;-.83,-1.69,;-2.36,-1.53,;-3.45,-2.62,;-3.05,-4.11,;-4.14,-5.19,;-3.74,-6.68,;-2.25,-7.08,;-1.86,-8.57,;-1.17,-5.99,;-1.56,-4.5,;-2.68,-.02,;-1.35,.75,;-1.35,2.29,;-2.68,3.06,;-4.01,2.29,;-4.01,.75,;-5.35,-.02,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM391188 (2-((3R,4R or 3S,4S)-4-(3-((2- (tert-butyl)-1-oxois...) Show SMILES CC(C)(C)N1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@]3(CC#N)CCOC[C@@H]3F)ccc2C1=O |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	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM391194 (2-((3R,4R or 3S,4S)-3-fluoro- 4-(4-oxo-3-((4-((S o...) Show SMILES F[C@H]1COCC[C@@]1(CC#N)n1nc(Nc2ccc(cc2)[C@@]2(CCCCN2)C(F)(F)F)c2c1cc[nH]c2=O |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	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM391195 (2-((3R,4R or 3S,4S)-3-fluoro- 4-(4-oxo-3-((4-((R o...) Show SMILES F[C@H]1COCC[C@@]1(CC#N)n1nc(Nc2ccc(cc2)[C@]2(CCCCN2)C(F)(F)F)c2c1cc[nH]c2=O |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	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM391185 (2-((3R,4R or 3S,4S)-4-(3-((2- (tert-butyl)-1,1-dio...) Show SMILES CC(C)(C)N1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@]3(CC#N)CCOC[C@@H]3F)ccc2S1(=O)=O |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	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM391366 (US9957264, Example 21-2 | [(1R,2R)-1-{3-[(3,3- dim...) Show SMILES CC1(C)C(=O)Nc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@@]3(CC#N)CCCC[C@H]3F)ccc12 |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	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM391366 (US9957264, Example 21-2 | [(1R,2R)-1-{3-[(3,3- dim...) Show SMILES CC1(C)C(=O)Nc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@@]3(CC#N)CCCC[C@H]3F)ccc12 |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	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM391107 (US9957264, Example 5-178 | [(3S)-3-{3-[(2-tert-but...) Show SMILES CC(C)(C)N1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@]3(CC#N)CCCOC3)ccc2S1(=O)=O |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	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM391295 (6-(4-(cyanomethyl)-4-(3- ((4(methylsulfonyl) pheny...) Show SMILES CS(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)c2ccc(cn2)C#N)cc1 Show InChI InChI=1S/C26H24N8O3S/c1-38(36,37)20-5-3-19(4-6-20)31-24-23-21(8-13-29-25(23)35)34(32-24)26(9-12-27)10-14-33(15-11-26)22-7-2-18(16-28)17-30-22/h2-8,13,17H,9-11,14-15H2,1H3,(H,29,35)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM391295 (6-(4-(cyanomethyl)-4-(3- ((4(methylsulfonyl) pheny...) Show SMILES CS(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)c2ccc(cn2)C#N)cc1 Show InChI InChI=1S/C26H24N8O3S/c1-38(36,37)20-5-3-19(4-6-20)31-24-23-21(8-13-29-25(23)35)34(32-24)26(9-12-27)10-14-33(15-11-26)22-7-2-18(16-28)17-30-22/h2-8,13,17H,9-11,14-15H2,1H3,(H,29,35)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM391348 ((2S,5S)-isopropyl 5-(3-((2- (tert-butyl)-1,1-dioxi...) Show SMILES CC(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc3c(CN(C(C)(C)C)S3(=O)=O)c2)c2c1cc[nH]c2=O |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	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM391016 (US9957264, Example 5-87 | {(1R,2R)-2-fluoro-1-[3- ...) Show SMILES CC(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCCC[C@H]2F)cc1 |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	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM391050 (2-(1-(3-((2-(tert-butyl)- 1,1-dioxido-2,3- dihydro...) Show SMILES CC(C)(C)N1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)C3(CC#N)CCCC3)ccc2S1(=O)=O Show InChI InChI=1S/C24H28N6O3S/c1-23(2,3)29-15-16-14-17(6-7-19(16)34(29,32)33)27-21-20-18(8-13-26-22(20)31)30(28-21)24(11-12-25)9-4-5-10-24/h6-8,13-14H,4-5,9-11,15H2,1-3H3,(H,26,31)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM391023 ((2S,5S)-tert-butyl 5- (cyanomethyl)-5-(3-((4-(N- m...) Show SMILES CNS(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CC[C@H](OC2)C(=O)OC(C)(C)C)cc1 |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	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM391338 (Trans 2-(4-(3-Fluoroazetidin- 1-yl)-1-(3-((2-methy...) Show SMILES CN1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@@]3(CC#N)CC[C@@H](CC3)N3CC(F)C3)ccc2S1(=O)=O |r,wU:17.18,wD:23.28,(1.9,-7.72,;.57,-6.95,;.57,-5.41,;-.89,-4.93,;-1.52,-3.52,;-3.05,-3.36,;-3.45,-1.88,;-2.36,-.79,;-.83,-.95,;-.2,.46,;-1.35,1.49,;-1.35,3.03,;-2.68,3.8,;-4.01,3.03,;-4.01,1.49,;-5.35,.72,;-2.68,.72,;1.28,.86,;.02,-.03,;.16,-1.56,;.29,-3.09,;.2,1.95,;.59,3.43,;2.08,3.83,;3.17,2.74,;2.77,1.26,;2.48,5.32,;3.81,6.09,;3.04,7.42,;3.44,8.91,;1.71,6.65,;-3.96,-4.61,;-3.33,-6.02,;-1.8,-6.18,;-.89,-7.42,;-1.98,-8.51,;-.49,-8.91,)| 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	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM391188 (2-((3R,4R or 3S,4S)-4-(3-((2- (tert-butyl)-1-oxois...) Show SMILES CC(C)(C)N1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@]3(CC#N)CCOC[C@@H]3F)ccc2C1=O |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	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM391194 (2-((3R,4R or 3S,4S)-3-fluoro- 4-(4-oxo-3-((4-((S o...) Show SMILES F[C@H]1COCC[C@@]1(CC#N)n1nc(Nc2ccc(cc2)[C@@]2(CCCCN2)C(F)(F)F)c2c1cc[nH]c2=O |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	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM391195 (2-((3R,4R or 3S,4S)-3-fluoro- 4-(4-oxo-3-((4-((R o...) Show SMILES F[C@H]1COCC[C@@]1(CC#N)n1nc(Nc2ccc(cc2)[C@]2(CCCCN2)C(F)(F)F)c2c1cc[nH]c2=O |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	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM391206 (2-((3R,4R or 3S,4S)-4-(3- ((1,1-dioxido-2-(1-(2,2,...) Show SMILES F[C@H]1COCC[C@@]1(CC#N)n1nc(Nc2ccc3c(CN(C4CCN(CC(F)(F)F)CC4)S3(=O)=O)c2)c2c1cc[nH]c2=O |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	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8
					More data for this Ligand-Target Pair

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