Compile Data Set for Download or QSAR

Found 52 hits with Last Name = 'huby' and Initial = 'nj'   

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))	BDBM50041293 (1-(8-Methyl-3-naphthalen-2-yl-8-aza-bicyclo[3.2.1]...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc3ccccc3c1)N2C |THB:22:21:4.10.9:6.7,11:10:21:6.7,2:4:21:6.7| Show InChI InChI=1S/C21H25NO/c1-3-20(23)21-18(13-17-10-11-19(21)22(17)2)16-9-8-14-6-4-5-7-15(14)12-16/h4-9,12,17-19,21H,3,10-11,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.121	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by ChEMBL					Assay Description Inhibition of [3H]paroxetine binding to serotonin transport sites in rat frontal cortex membranes.				J Med Chem 37: 1262-8 (1994) BindingDB Entry DOI: 10.7270/Q2TH8NBM
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50041293 (1-(8-Methyl-3-naphthalen-2-yl-8-aza-bicyclo[3.2.1]...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc3ccccc3c1)N2C |THB:22:21:4.10.9:6.7,11:10:21:6.7,2:4:21:6.7| Show InChI InChI=1S/C21H25NO/c1-3-20(23)21-18(13-17-10-11-19(21)22(17)2)16-9-8-14-6-4-5-7-15(14)12-16/h4-9,12,17-19,21H,3,10-11,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.394	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by ChEMBL					Assay Description Inhibition of [3H]paroxetine binding to serotonin transport sites in rat frontal cortex membranes.				J Med Chem 37: 1262-8 (1994) BindingDB Entry DOI: 10.7270/Q2TH8NBM
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50041304 (1-(8-Methyl-3-naphthalen-2-yl-8-aza-bicyclo[3.2.1]...) Show SMILES CN1C2CCC1C(C(C2)c1ccc2ccccc2c1)C(C)=O |TLB:9:7:1:4.3,19:6:1:4.3,THB:0:1:6.7.8:4.3| Show InChI InChI=1S/C20H23NO/c1-13(22)20-18(12-17-9-10-19(20)21(17)2)16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11,17-20H,9-10,12H2,1-2H3	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
Wake Forest University Curated by ChEMBL					Assay Description Inhibition of [3H]paroxetine binding to serotonin transport sites in rat frontal cortex membranes.				J Med Chem 37: 1262-8 (1994) BindingDB Entry DOI: 10.7270/Q2TH8NBM
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50041294 (1-(3-Biphenyl-4-yl-8-methyl-8-aza-bicyclo[3.2.1]oc...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccccc1)N2C |THB:24:23:4.10.9:6.7,2:4:23:6.7,11:10:23:6.7| Show InChI InChI=1S/C23H27NO/c1-3-22(25)23-20(15-19-13-14-21(23)24(19)2)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,19-21,23H,3,13-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by ChEMBL					Assay Description Inhibition of [3H]paroxetine binding to serotonin transport sites in rat frontal cortex membranes.				J Med Chem 37: 1262-8 (1994) BindingDB Entry DOI: 10.7270/Q2TH8NBM
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50041300 (1-(8-Methyl-3-naphthalen-1-yl-8-aza-bicyclo[3.2.1]...) Show SMILES CCC(=O)C1C2CCC(CC1c1cccc3ccccc13)N2C |THB:11:10:21:6.7,2:4:21:6.7,22:21:10.4.9:6.7| Show InChI InChI=1S/C21H25NO/c1-3-20(23)21-18(13-15-11-12-19(21)22(15)2)17-10-6-8-14-7-4-5-9-16(14)17/h4-10,15,18-19,21H,3,11-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by ChEMBL					Assay Description Inhibition of [3H]paroxetine binding to serotonin transport sites in rat frontal cortex membranes.				J Med Chem 37: 1262-8 (1994) BindingDB Entry DOI: 10.7270/Q2TH8NBM
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50041298 (1-(8-Methyl-3-naphthalen-1-yl-8-aza-bicyclo[3.2.1]...) Show SMILES CN1C2CCC1C(C(C2)c1cccc2ccccc12)C(C)=O |TLB:9:7:1:4.3,19:6:1:4.3,THB:0:1:7.6.8:4.3| Show InChI InChI=1S/C20H23NO/c1-13(22)20-18(12-15-10-11-19(20)21(15)2)17-9-5-7-14-6-3-4-8-16(14)17/h3-9,15,18-20H,10-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by ChEMBL					Assay Description Inhibition of [3H]paroxetine binding to serotonin transport sites in rat frontal cortex membranes.				J Med Chem 37: 1262-8 (1994) BindingDB Entry DOI: 10.7270/Q2TH8NBM
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50041303 (1-[3-(4-Isopropyl-phenyl)-8-methyl-8-aza-bicyclo[3...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(cc1)C(C)C)N2C |THB:21:20:4.10.9:6.7,2:4:20:6.7,11:10:20:6.7| Show InChI InChI=1S/C20H29NO/c1-5-19(22)20-17(12-16-10-11-18(20)21(16)4)15-8-6-14(7-9-15)13(2)3/h6-9,13,16-18,20H,5,10-12H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by ChEMBL					Assay Description Inhibition of [3H]paroxetine binding to serotonin transport sites in rat frontal cortex membranes.				J Med Chem 37: 1262-8 (1994) BindingDB Entry DOI: 10.7270/Q2TH8NBM
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50041307 (1-[3-(4-Ethyl-phenyl)-8-methyl-8-aza-bicyclo[3.2.1...) Show SMILES CCc1ccc(cc1)C1CC2CCC(C1C(C)=O)N2C |THB:15:14:18:12.11,5:8:18:12.11,19:18:14.8.9:12.11| Show InChI InChI=1S/C18H25NO/c1-4-13-5-7-14(8-6-13)16-11-15-9-10-17(19(15)3)18(16)12(2)20/h5-8,15-18H,4,9-11H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by ChEMBL					Assay Description Inhibition of [3H]paroxetine binding to serotonin transport sites in rat frontal cortex membranes.				J Med Chem 37: 1262-8 (1994) BindingDB Entry DOI: 10.7270/Q2TH8NBM
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50041299 (1-(8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]oct-2-yl...) Show SMILES CN1C2CCC1C(C(C2)c1ccc(C)cc1)C(C)=O |TLB:16:6:1:4.3,9:7:1:4.3,THB:0:1:6.7.8:4.3| Show InChI InChI=1S/C17H23NO/c1-11-4-6-13(7-5-11)15-10-14-8-9-16(18(14)3)17(15)12(2)19/h4-7,14-17H,8-10H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	122	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by ChEMBL					Assay Description Inhibition of [3H]paroxetine binding to serotonin transport sites in rat frontal cortex membranes.				J Med Chem 37: 1262-8 (1994) BindingDB Entry DOI: 10.7270/Q2TH8NBM
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50041296 (1-(8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]oct-2-yl...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:2:4:18:6.7,11:10:18:6.7,19:18:4.10.9:6.7| Show InChI InChI=1S/C18H25NO/c1-4-17(20)18-15(13-7-5-12(2)6-8-13)11-14-9-10-16(18)19(14)3/h5-8,14-16,18H,4,9-11H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	131	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by ChEMBL					Assay Description Inhibition of [3H]paroxetine binding to serotonin transport sites in rat frontal cortex membranes.				J Med Chem 37: 1262-8 (1994) BindingDB Entry DOI: 10.7270/Q2TH8NBM
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50041296 (1-(8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]oct-2-yl...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:2:4:18:6.7,11:10:18:6.7,19:18:4.10.9:6.7| Show InChI InChI=1S/C18H25NO/c1-4-17(20)18-15(13-7-5-12(2)6-8-13)11-14-9-10-16(18)19(14)3/h5-8,14-16,18H,4,9-11H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	131	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by ChEMBL					Assay Description Inhibition of [3H]paroxetine binding to serotonin transport sites in rat frontal cortex membranes.				J Med Chem 37: 1262-8 (1994) BindingDB Entry DOI: 10.7270/Q2TH8NBM
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50041306 (1-[3-(4-Fluoro-phenyl)-8-methyl-8-aza-bicyclo[3.2....) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2C |THB:2:4:18:6.7,11:10:18:6.7,19:18:4.10.9:6.7| Show InChI InChI=1S/C17H22FNO/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	630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by ChEMBL					Assay Description Inhibition of [3H]paroxetine binding to serotonin transport sites in rat frontal cortex membranes.				J Med Chem 37: 1262-8 (1994) BindingDB Entry DOI: 10.7270/Q2TH8NBM
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50041295 (1-[3-(4-Fluoro-phenyl)-8-methyl-8-aza-bicyclo[3.2....) Show SMILES CN1C2CCC1C(C(C2)c1ccc(F)cc1)C(C)=O |TLB:16:6:1:4.3,9:7:1:4.3,THB:0:1:6.7.8:4.3| Show InChI InChI=1S/C16H20FNO/c1-10(19)16-14(11-3-5-12(17)6-4-11)9-13-7-8-15(16)18(13)2/h3-6,13-16H,7-9H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	857	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by ChEMBL					Assay Description Inhibition of [3H]paroxetine binding to serotonin transport sites in rat frontal cortex membranes.				J Med Chem 37: 1262-8 (1994) BindingDB Entry DOI: 10.7270/Q2TH8NBM
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50041297 (1-(8-Methyl-3-phenyl-8-aza-bicyclo[3.2.1]oct-2-yl)...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccccc1)N2C |THB:2:4:17:6.7,11:10:17:6.7,18:17:4.10.9:6.7| Show InChI InChI=1S/C17H23NO/c1-3-16(19)17-14(12-7-5-4-6-8-12)11-13-9-10-15(17)18(13)2/h4-8,13-15,17H,3,9-11H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by ChEMBL					Assay Description Inhibition of [3H]paroxetine binding to serotonin transport sites in rat frontal cortex membranes.				J Med Chem 37: 1262-8 (1994) BindingDB Entry DOI: 10.7270/Q2TH8NBM
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50041302 (1-(8-Methyl-3-phenyl-8-aza-bicyclo[3.2.1]oct-2-yl)...) Show SMILES CN1C2CCC1C(C(C2)c1ccccc1)C(C)=O |TLB:15:6:1:4.3,9:7:1:4.3,THB:0:1:6.7.8:4.3| Show InChI InChI=1S/C16H21NO/c1-11(18)16-14(12-6-4-3-5-7-12)10-13-8-9-15(16)17(13)2/h3-7,13-16H,8-10H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by ChEMBL					Assay Description Inhibition of [3H]paroxetine binding to serotonin transport sites in rat frontal cortex membranes.				J Med Chem 37: 1262-8 (1994) BindingDB Entry DOI: 10.7270/Q2TH8NBM
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50041310 (1-[3-(4-tert-Butyl-phenyl)-8-methyl-8-aza-bicyclo[...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(cc1)C(C)(C)C)N2C |THB:22:21:4.10.9:6.7,2:4:21:6.7,11:10:21:6.7| Show InChI InChI=1S/C21H31NO/c1-6-19(23)20-17(13-16-11-12-18(20)22(16)5)14-7-9-15(10-8-14)21(2,3)4/h7-10,16-18,20H,6,11-13H2,1-5H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.77E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by ChEMBL					Assay Description Inhibition of [3H]paroxetine binding to serotonin transport sites in rat frontal cortex membranes.				J Med Chem 37: 1262-8 (1994) BindingDB Entry DOI: 10.7270/Q2TH8NBM
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50041305 (1-(8-Methyl-3-o-tolyl-8-aza-bicyclo[3.2.1]oct-2-yl...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccccc1C)N2C |THB:11:10:18:6.7,2:4:18:6.7,19:18:4.10.9:6.7| Show InChI InChI=1S/C18H25NO/c1-4-17(20)18-15(14-8-6-5-7-12(14)2)11-13-9-10-16(18)19(13)3/h5-8,13,15-16,18H,4,9-11H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by ChEMBL					Assay Description Inhibition of [3H]paroxetine binding to serotonin transport sites in rat frontal cortex membranes.				J Med Chem 37: 1262-8 (1994) BindingDB Entry DOI: 10.7270/Q2TH8NBM
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50041309 (1-(3-Ethyl-8-methyl-8-aza-bicyclo[3.2.1]oct-2-yl)-...) Show SMILES CCC1CC2CCC(C1C(=O)CC)N2C |THB:9:8:13:6.5,14:13:8.2.3:6.5,1:2:13:6.5| Show InChI InChI=1S/C13H23NO/c1-4-9-8-10-6-7-11(14(10)3)13(9)12(15)5-2/h9-11,13H,4-8H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by ChEMBL					Assay Description Inhibition of [3H]paroxetine binding to serotonin transport sites in rat frontal cortex membranes.				J Med Chem 37: 1262-8 (1994) BindingDB Entry DOI: 10.7270/Q2TH8NBM
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50041301 (1-(3-Cyclohexyl-8-methyl-8-aza-bicyclo[3.2.1]oct-2...) Show SMILES CCC(=O)C1C2CCC(CC1C1CCCCC1)N2C |THB:2:4:17:6.7,11:10:17:6.7,18:17:4.10.9:6.7| Show InChI InChI=1S/C17H29NO/c1-3-16(19)17-14(12-7-5-4-6-8-12)11-13-9-10-15(17)18(13)2/h12-15,17H,3-11H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by ChEMBL					Assay Description Inhibition of [3H]paroxetine binding to serotonin transport sites in rat frontal cortex membranes.				J Med Chem 37: 1262-8 (1994) BindingDB Entry DOI: 10.7270/Q2TH8NBM
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50041293 (1-(8-Methyl-3-naphthalen-2-yl-8-aza-bicyclo[3.2.1]...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc3ccccc3c1)N2C |THB:22:21:4.10.9:6.7,11:10:21:6.7,2:4:21:6.7| Show InChI InChI=1S/C21H25NO/c1-3-20(23)21-18(13-17-10-11-19(21)22(17)2)16-9-8-14-6-4-5-7-15(14)12-16/h4-9,12,17-19,21H,3,10-11,13H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0430	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by ChEMBL					Assay Description Inhibition of [125I]RTI-55 binding to dopamine transport sites in rat striatal membranes.				J Med Chem 37: 1262-8 (1994) BindingDB Entry DOI: 10.7270/Q2TH8NBM
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50041293 (1-(8-Methyl-3-naphthalen-2-yl-8-aza-bicyclo[3.2.1]...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc3ccccc3c1)N2C |THB:22:21:4.10.9:6.7,11:10:21:6.7,2:4:21:6.7| Show InChI InChI=1S/C21H25NO/c1-3-20(23)21-18(13-17-10-11-19(21)22(17)2)16-9-8-14-6-4-5-7-15(14)12-16/h4-9,12,17-19,21H,3,10-11,13H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.115	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by ChEMBL					Assay Description Inhibition of [125I]RTI-55 binding to dopamine transport sites in rat striatal membranes.				J Med Chem 37: 1262-8 (1994) BindingDB Entry DOI: 10.7270/Q2TH8NBM
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50041304 (1-(8-Methyl-3-naphthalen-2-yl-8-aza-bicyclo[3.2.1]...) Show SMILES CN1C2CCC1C(C(C2)c1ccc2ccccc2c1)C(C)=O |TLB:9:7:1:4.3,19:6:1:4.3,THB:0:1:6.7.8:4.3| Show InChI InChI=1S/C20H23NO/c1-13(22)20-18(12-17-9-10-19(20)21(17)2)16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11,17-20H,9-10,12H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by ChEMBL					Assay Description Inhibition of [125I]RTI-55 binding to dopamine transport sites in rat striatal membranes.				J Med Chem 37: 1262-8 (1994) BindingDB Entry DOI: 10.7270/Q2TH8NBM
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50041294 (1-(3-Biphenyl-4-yl-8-methyl-8-aza-bicyclo[3.2.1]oc...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccccc1)N2C |THB:24:23:4.10.9:6.7,2:4:23:6.7,11:10:23:6.7| Show InChI InChI=1S/C23H27NO/c1-3-22(25)23-20(15-19-13-14-21(23)24(19)2)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,19-21,23H,3,13-15H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by ChEMBL					Assay Description Inhibition of [125I]RTI-55 binding to dopamine transport sites in rat striatal membranes.				J Med Chem 37: 1262-8 (1994) BindingDB Entry DOI: 10.7270/Q2TH8NBM
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50041300 (1-(8-Methyl-3-naphthalen-1-yl-8-aza-bicyclo[3.2.1]...) Show SMILES CCC(=O)C1C2CCC(CC1c1cccc3ccccc13)N2C |THB:11:10:21:6.7,2:4:21:6.7,22:21:10.4.9:6.7| Show InChI InChI=1S/C21H25NO/c1-3-20(23)21-18(13-15-11-12-19(21)22(15)2)17-10-6-8-14-7-4-5-9-16(14)17/h4-10,15,18-19,21H,3,11-13H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by ChEMBL					Assay Description Inhibition of [125I]RTI-55 binding to dopamine transport sites in rat striatal membranes.				J Med Chem 37: 1262-8 (1994) BindingDB Entry DOI: 10.7270/Q2TH8NBM
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50041296 (1-(8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]oct-2-yl...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:2:4:18:6.7,11:10:18:6.7,19:18:4.10.9:6.7| Show InChI InChI=1S/C18H25NO/c1-4-17(20)18-15(13-7-5-12(2)6-8-13)11-14-9-10-16(18)19(14)3/h5-8,14-16,18H,4,9-11H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by ChEMBL					Assay Description Inhibition of [125I]RTI-55 binding to dopamine transport sites in rat striatal membranes.				J Med Chem 37: 1262-8 (1994) BindingDB Entry DOI: 10.7270/Q2TH8NBM
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50041296 (1-(8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]oct-2-yl...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:2:4:18:6.7,11:10:18:6.7,19:18:4.10.9:6.7| Show InChI InChI=1S/C18H25NO/c1-4-17(20)18-15(13-7-5-12(2)6-8-13)11-14-9-10-16(18)19(14)3/h5-8,14-16,18H,4,9-11H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by ChEMBL					Assay Description Inhibition of [125I]RTI-55 binding to dopamine transport sites in rat striatal membranes.				J Med Chem 37: 1262-8 (1994) BindingDB Entry DOI: 10.7270/Q2TH8NBM
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50041299 (1-(8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]oct-2-yl...) Show SMILES CN1C2CCC1C(C(C2)c1ccc(C)cc1)C(C)=O |TLB:16:6:1:4.3,9:7:1:4.3,THB:0:1:6.7.8:4.3| Show InChI InChI=1S/C17H23NO/c1-11-4-6-13(7-5-11)15-10-14-8-9-16(18(14)3)17(15)12(2)19/h4-7,14-17H,8-10H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by ChEMBL					Assay Description Inhibition of [125I]RTI-55 binding to dopamine transport sites in rat striatal membranes.				J Med Chem 37: 1262-8 (1994) BindingDB Entry DOI: 10.7270/Q2TH8NBM
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50041298 (1-(8-Methyl-3-naphthalen-1-yl-8-aza-bicyclo[3.2.1]...) Show SMILES CN1C2CCC1C(C(C2)c1cccc2ccccc12)C(C)=O |TLB:9:7:1:4.3,19:6:1:4.3,THB:0:1:7.6.8:4.3| Show InChI InChI=1S/C20H23NO/c1-13(22)20-18(12-15-10-11-19(20)21(15)2)17-9-5-7-14-6-3-4-8-16(14)17/h3-9,15,18-20H,10-12H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by ChEMBL					Assay Description Inhibition of [125I]RTI-55 binding to dopamine transport sites in rat striatal membranes.				J Med Chem 37: 1262-8 (1994) BindingDB Entry DOI: 10.7270/Q2TH8NBM
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50041306 (1-[3-(4-Fluoro-phenyl)-8-methyl-8-aza-bicyclo[3.2....) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2C |THB:2:4:18:6.7,11:10:18:6.7,19:18:4.10.9:6.7| Show InChI InChI=1S/C17H22FNO/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	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by ChEMBL					Assay Description Inhibition of [125I]RTI-55 binding to dopamine transport sites in rat striatal membranes.				J Med Chem 37: 1262-8 (1994) BindingDB Entry DOI: 10.7270/Q2TH8NBM
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50041297 (1-(8-Methyl-3-phenyl-8-aza-bicyclo[3.2.1]oct-2-yl)...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccccc1)N2C |THB:2:4:17:6.7,11:10:17:6.7,18:17:4.10.9:6.7| Show InChI InChI=1S/C17H23NO/c1-3-16(19)17-14(12-7-5-4-6-8-12)11-13-9-10-15(17)18(13)2/h4-8,13-15,17H,3,9-11H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by ChEMBL					Assay Description Inhibition of [125I]RTI-55 binding to dopamine transport sites in rat striatal membranes.				J Med Chem 37: 1262-8 (1994) BindingDB Entry DOI: 10.7270/Q2TH8NBM
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50041295 (1-[3-(4-Fluoro-phenyl)-8-methyl-8-aza-bicyclo[3.2....) Show SMILES CN1C2CCC1C(C(C2)c1ccc(F)cc1)C(C)=O |TLB:16:6:1:4.3,9:7:1:4.3,THB:0:1:6.7.8:4.3| Show InChI InChI=1S/C16H20FNO/c1-10(19)16-14(11-3-5-12(17)6-4-11)9-13-7-8-15(16)18(13)2/h3-6,13-16H,7-9H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by ChEMBL					Assay Description Inhibition of [125I]RTI-55 binding to dopamine transport sites in rat striatal membranes.				J Med Chem 37: 1262-8 (1994) BindingDB Entry DOI: 10.7270/Q2TH8NBM
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50041302 (1-(8-Methyl-3-phenyl-8-aza-bicyclo[3.2.1]oct-2-yl)...) Show SMILES CN1C2CCC1C(C(C2)c1ccccc1)C(C)=O |TLB:15:6:1:4.3,9:7:1:4.3,THB:0:1:6.7.8:4.3| Show InChI InChI=1S/C16H21NO/c1-11(18)16-14(12-6-4-3-5-7-12)10-13-8-9-15(16)17(13)2/h3-7,13-16H,8-10H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by ChEMBL					Assay Description Inhibition of [125I]RTI-55 binding to dopamine transport sites in rat striatal membranes.				J Med Chem 37: 1262-8 (1994) BindingDB Entry DOI: 10.7270/Q2TH8NBM
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50041307 (1-[3-(4-Ethyl-phenyl)-8-methyl-8-aza-bicyclo[3.2.1...) Show SMILES CCc1ccc(cc1)C1CC2CCC(C1C(C)=O)N2C |THB:15:14:18:12.11,5:8:18:12.11,19:18:14.8.9:12.11| Show InChI InChI=1S/C18H25NO/c1-4-13-5-7-14(8-6-13)16-11-15-9-10-17(19(15)3)18(16)12(2)20/h5-8,15-18H,4,9-11H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	152	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by ChEMBL					Assay Description Inhibition of [125I]RTI-55 binding to dopamine transport sites in rat striatal membranes.				J Med Chem 37: 1262-8 (1994) BindingDB Entry DOI: 10.7270/Q2TH8NBM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM235155 (US9359345, 1) Show SMILES NC(=O)c1nc(sc1Nc1ccccn1)N1CCC[C@H](C1)NC(=O)N1Cc2ccccc2C1 |r| Show InChI InChI=1S/C23H25N7O2S/c24-20(31)19-21(27-18-9-3-4-10-25-18)33-23(28-19)29-11-5-8-17(14-29)26-22(32)30-12-15-6-1-2-7-16(15)13-30/h1-4,6-7,9-10,17H,5,8,11-14H2,(H2,24,31)(H,25,27)(H,26,32)/t17-/m1/s1	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	254	n/a	n/a	n/a	n/a	7.15	14
HOFFMANN-LA ROCHE INC. US Patent					Assay Description This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Forster/Fluorescence Re...				US Patent US9359345 (2016) BindingDB Entry DOI: 10.7270/Q2668C21
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50041303 (1-[3-(4-Isopropyl-phenyl)-8-methyl-8-aza-bicyclo[3...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(cc1)C(C)C)N2C |THB:21:20:4.10.9:6.7,2:4:20:6.7,11:10:20:6.7| Show InChI InChI=1S/C20H29NO/c1-5-19(22)20-17(12-16-10-11-18(20)21(16)4)15-8-6-14(7-9-15)13(2)3/h6-9,13,16-18,20H,5,10-12H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	436	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by ChEMBL					Assay Description Inhibition of [125I]RTI-55 binding to dopamine transport sites in rat striatal membranes.				J Med Chem 37: 1262-8 (1994) BindingDB Entry DOI: 10.7270/Q2TH8NBM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM235161 (US9359345, 7) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1nc(C(N)=O)c(Nc2ccccn2)s1 |r| Show InChI InChI=1S/C25H30N6O2S/c1-25(2,3)17-11-9-16(10-12-17)22(33)28-18-7-6-14-31(15-18)24-30-20(21(26)32)23(34-24)29-19-8-4-5-13-27-19/h4-5,8-13,18H,6-7,14-15H2,1-3H3,(H2,26,32)(H,27,29)(H,28,33)/t18-/m1/s1	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	470	n/a	n/a	n/a	n/a	7.15	14
HOFFMANN-LA ROCHE INC. US Patent					Assay Description This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Forster/Fluorescence Re...				US Patent US9359345 (2016) BindingDB Entry DOI: 10.7270/Q2668C21
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM235157 (US9359345, 3) Show SMILES CC(C)(C)OC(=O)N[C@@H]1CCCN(C1)c1nc(C(N)=O)c(Nc2ccccn2)s1 |r| Show InChI InChI=1S/C19H26N6O3S/c1-19(2,3)28-18(27)22-12-7-6-10-25(11-12)17-24-14(15(20)26)16(29-17)23-13-8-4-5-9-21-13/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H2,20,26)(H,21,23)(H,22,27)/t12-/m1/s1	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	1.21E+3	n/a	n/a	n/a	n/a	7.15	14
HOFFMANN-LA ROCHE INC. US Patent					Assay Description This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Forster/Fluorescence Re...				US Patent US9359345 (2016) BindingDB Entry DOI: 10.7270/Q2668C21
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50041305 (1-(8-Methyl-3-o-tolyl-8-aza-bicyclo[3.2.1]oct-2-yl...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccccc1C)N2C |THB:11:10:18:6.7,2:4:18:6.7,19:18:4.10.9:6.7| Show InChI InChI=1S/C18H25NO/c1-4-17(20)18-15(14-8-6-5-7-12(14)2)11-13-9-10-16(18)19(13)3/h5-8,13,15-16,18H,4,9-11H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by ChEMBL					Assay Description Inhibition of [125I]RTI-55 binding to dopamine transport sites in rat striatal membranes.				J Med Chem 37: 1262-8 (1994) BindingDB Entry DOI: 10.7270/Q2TH8NBM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM235163 (US9359345, 9) Show SMILES NC(=O)c1nc(sc1Nc1ccccn1)N1CCC[C@H](C1)NS(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C20H22N6O3S2/c21-18(27)17-19(23-16-10-4-5-11-22-16)30-20(24-17)26-12-6-7-14(13-26)25-31(28,29)15-8-2-1-3-9-15/h1-5,8-11,14,25H,6-7,12-13H2,(H2,21,27)(H,22,23)/t14-/m1/s1	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	1.61E+3	n/a	n/a	n/a	n/a	7.15	14
HOFFMANN-LA ROCHE INC. US Patent					Assay Description This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Forster/Fluorescence Re...				US Patent US9359345 (2016) BindingDB Entry DOI: 10.7270/Q2668C21
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM235158 (US9359345, 4) Show SMILES CC(C)(C)c1ccc(cn1)C(=O)N[C@@H]1CCCN(C1)c1nc(C(N)=O)c(Nc2ccccn2)s1 |r| Show InChI InChI=1S/C24H29N7O2S/c1-24(2,3)17-10-9-15(13-27-17)21(33)28-16-7-6-12-31(14-16)23-30-19(20(25)32)22(34-23)29-18-8-4-5-11-26-18/h4-5,8-11,13,16H,6-7,12,14H2,1-3H3,(H2,25,32)(H,26,29)(H,28,33)/t16-/m1/s1	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	1.73E+3	n/a	n/a	n/a	n/a	7.15	14
HOFFMANN-LA ROCHE INC. US Patent					Assay Description This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Forster/Fluorescence Re...				US Patent US9359345 (2016) BindingDB Entry DOI: 10.7270/Q2668C21
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50041310 (1-[3-(4-tert-Butyl-phenyl)-8-methyl-8-aza-bicyclo[...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(cc1)C(C)(C)C)N2C |THB:22:21:4.10.9:6.7,2:4:21:6.7,11:10:21:6.7| Show InChI InChI=1S/C21H31NO/c1-6-19(23)20-17(13-16-11-12-18(20)22(16)5)14-7-9-15(10-8-14)21(2,3)4/h7-10,16-18,20H,6,11-13H2,1-5H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by ChEMBL					Assay Description Inhibition of [125I]RTI-55 binding to dopamine transport sites in rat striatal membranes.				J Med Chem 37: 1262-8 (1994) BindingDB Entry DOI: 10.7270/Q2TH8NBM
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50041301 (1-(3-Cyclohexyl-8-methyl-8-aza-bicyclo[3.2.1]oct-2...) Show SMILES CCC(=O)C1C2CCC(CC1C1CCCCC1)N2C |THB:2:4:17:6.7,11:10:17:6.7,18:17:4.10.9:6.7| Show InChI InChI=1S/C17H29NO/c1-3-16(19)17-14(12-7-5-4-6-8-12)11-13-9-10-15(17)18(13)2/h12-15,17H,3-11H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by ChEMBL					Assay Description Inhibition of [125I]RTI-55 binding to dopamine transport sites in rat striatal membranes.				J Med Chem 37: 1262-8 (1994) BindingDB Entry DOI: 10.7270/Q2TH8NBM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM235162 (US9359345, 8) Show SMILES CS(=O)(=O)N[C@@H]1CCCN(C1)c1nc(C(N)=O)c(Nc2ccccn2)s1 |r| Show InChI InChI=1S/C15H20N6O3S2/c1-26(23,24)20-10-5-4-8-21(9-10)15-19-12(13(16)22)14(25-15)18-11-6-2-3-7-17-11/h2-3,6-7,10,20H,4-5,8-9H2,1H3,(H2,16,22)(H,17,18)/t10-/m1/s1	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	5.07E+3	n/a	n/a	n/a	n/a	7.15	14
HOFFMANN-LA ROCHE INC. US Patent					Assay Description This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Forster/Fluorescence Re...				US Patent US9359345 (2016) BindingDB Entry DOI: 10.7270/Q2668C21
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM235165 (US9359345, 11) Show SMILES NC(=O)c1nc(sc1Nc1ccccn1)N1CCC[C@H](C1)NC(=O)CNc1cccc(Cl)c1 |r| Show InChI InChI=1S/C22H24ClN7O2S/c23-14-5-3-6-15(11-14)26-12-18(31)27-16-7-4-10-30(13-16)22-29-19(20(24)32)21(33-22)28-17-8-1-2-9-25-17/h1-3,5-6,8-9,11,16,26H,4,7,10,12-13H2,(H2,24,32)(H,25,28)(H,27,31)/t16-/m1/s1	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	5.37E+3	n/a	n/a	n/a	n/a	7.15	14
HOFFMANN-LA ROCHE INC. US Patent					Assay Description This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Forster/Fluorescence Re...				US Patent US9359345 (2016) BindingDB Entry DOI: 10.7270/Q2668C21
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM235164 (US9359345, 10) Show SMILES CC(C)S(=O)(=O)N[C@@H]1CCCN(C1)c1nc(C(N)=O)c(Nc2ccccn2)s1 |r| Show InChI InChI=1S/C17H24N6O3S2/c1-11(2)28(25,26)22-12-6-5-9-23(10-12)17-21-14(15(18)24)16(27-17)20-13-7-3-4-8-19-13/h3-4,7-8,11-12,22H,5-6,9-10H2,1-2H3,(H2,18,24)(H,19,20)/t12-/m1/s1	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	5.80E+3	n/a	n/a	n/a	n/a	7.15	14
HOFFMANN-LA ROCHE INC. US Patent					Assay Description This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Forster/Fluorescence Re...				US Patent US9359345 (2016) BindingDB Entry DOI: 10.7270/Q2668C21
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM235166 (US9359345, 12) Show SMILES CC(=O)N[C@@H]1CCCN(C1)c1nc(C(N)=O)c(Nc2ccccn2)s1 |r| Show InChI InChI=1S/C16H20N6O2S/c1-10(23)19-11-5-4-8-22(9-11)16-21-13(14(17)24)15(25-16)20-12-6-2-3-7-18-12/h2-3,6-7,11H,4-5,8-9H2,1H3,(H2,17,24)(H,18,20)(H,19,23)/t11-/m1/s1	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	6.03E+3	n/a	n/a	n/a	n/a	7.15	14
HOFFMANN-LA ROCHE INC. US Patent					Assay Description This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Forster/Fluorescence Re...				US Patent US9359345 (2016) BindingDB Entry DOI: 10.7270/Q2668C21
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM235159 (US9359345, 5) Show SMILES NC(=O)c1nc(sc1Nc1ccccn1)N1CCC[C@H](C1)NC(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C22H24N6O2S/c23-20(30)19-21(26-17-10-4-5-11-24-17)31-22(27-19)28-12-6-9-16(14-28)25-18(29)13-15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12-14H2,(H2,23,30)(H,24,26)(H,25,29)/t16-/m1/s1	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	6.24E+3	n/a	n/a	n/a	n/a	7.15	14
HOFFMANN-LA ROCHE INC. US Patent					Assay Description This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Forster/Fluorescence Re...				US Patent US9359345 (2016) BindingDB Entry DOI: 10.7270/Q2668C21
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM235160 (US9359345, 6) Show SMILES Cc1cccc(CC(=O)N[C@@H]2CCCN(C2)c2nc(C(N)=O)c(Nc3ccccn3)s2)c1 |r| Show InChI InChI=1S/C23H26N6O2S/c1-15-6-4-7-16(12-15)13-19(30)26-17-8-5-11-29(14-17)23-28-20(21(24)31)22(32-23)27-18-9-2-3-10-25-18/h2-4,6-7,9-10,12,17H,5,8,11,13-14H2,1H3,(H2,24,31)(H,25,27)(H,26,30)/t17-/m1/s1	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	7.51E+3	n/a	n/a	n/a	n/a	7.15	14
HOFFMANN-LA ROCHE INC. US Patent					Assay Description This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Forster/Fluorescence Re...				US Patent US9359345 (2016) BindingDB Entry DOI: 10.7270/Q2668C21
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM235156 (US9359345, 2) Show SMILES NC(=O)c1nc(sc1Nc1ccccn1)N1CCC[C@H](C1)NC(=O)N1Cc2ccc(Cl)cc2C1 |r| Show InChI InChI=1S/C23H24ClN7O2S/c24-16-7-6-14-11-31(12-15(14)10-16)22(33)27-17-4-3-9-30(13-17)23-29-19(20(25)32)21(34-23)28-18-5-1-2-8-26-18/h1-2,5-8,10,17H,3-4,9,11-13H2,(H2,25,32)(H,26,28)(H,27,33)/t17-/m1/s1	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	7.74E+3	n/a	n/a	n/a	n/a	7.15	14
HOFFMANN-LA ROCHE INC. US Patent					Assay Description This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Forster/Fluorescence Re...				US Patent US9359345 (2016) BindingDB Entry DOI: 10.7270/Q2668C21
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50041309 (1-(3-Ethyl-8-methyl-8-aza-bicyclo[3.2.1]oct-2-yl)-...) Show SMILES CCC1CC2CCC(C1C(=O)CC)N2C |THB:9:8:13:6.5,14:13:8.2.3:6.5,1:2:13:6.5| Show InChI InChI=1S/C13H23NO/c1-4-9-8-10-6-7-11(14(10)3)13(9)12(15)5-2/h9-11,13H,4-8H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by ChEMBL					Assay Description Inhibition of [125I]RTI-55 binding to dopamine transport sites in rat striatal membranes.				J Med Chem 37: 1262-8 (1994) BindingDB Entry DOI: 10.7270/Q2TH8NBM
					More data for this Ligand-Target Pair

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