Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50043704   

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
Transporter (Rattus norvegicus (rat))	BDBM50124566 ((R)-2-((R)-(2-ethoxyphenoxy)(phenyl)methyl)morphol...) Show SMILES CCOc1ccccc1OC(C1CNCCO1)c1ccccc1 Show InChI InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]-dopamine from rat cerebral cortex NET after 7 mins				Bioorg Med Chem 22: 311-24 (2013) Article DOI: 10.1016/j.bmc.2013.11.017 BindingDB Entry DOI: 10.7270/Q2FB54D1
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50444862 (CHEMBL3099493) Show SMILES O[C@@H]1C[C@H](OC[C@H]1NCc1ccc(O)cc1)C(c1ccc(F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H25F2NO3/c26-19-7-3-17(4-8-19)25(18-5-9-20(27)10-6-18)24-13-23(30)22(15-31-24)28-14-16-1-11-21(29)12-2-16/h1-12,22-25,28-30H,13-15H2/t22-,23-,24+/m1/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]-dopamine from rat cerebral cortex NET after 7 mins				Bioorg Med Chem 22: 311-24 (2013) Article DOI: 10.1016/j.bmc.2013.11.017 BindingDB Entry DOI: 10.7270/Q2FB54D1
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50444861 (CHEMBL3099494) Show SMILES Fc1ccc(cc1)C([C@@H]1CC[C@@H](CO1)NCc1ccc2OCCc2c1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C27H27F2NO2/c28-22-6-2-19(3-7-22)27(20-4-8-23(29)9-5-20)26-12-10-24(17-32-26)30-16-18-1-11-25-21(15-18)13-14-31-25/h1-9,11,15,24,26-27,30H,10,12-14,16-17H2/t24-,26-/m0/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]-dopamine from rat cerebral cortex NET after 7 mins				Bioorg Med Chem 22: 311-24 (2013) Article DOI: 10.1016/j.bmc.2013.11.017 BindingDB Entry DOI: 10.7270/Q2FB54D1
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50444860 (CHEMBL3099495) Show SMILES Nc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1 |r| Show InChI InChI=1S/C25H26F2N2O/c26-20-7-3-18(4-8-20)25(19-5-9-21(27)10-6-19)24-14-13-23(16-30-24)29-15-17-1-11-22(28)12-2-17/h1-12,23-25,29H,13-16,28H2/t23-,24-/m0/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]-dopamine from rat cerebral cortex NET after 7 mins				Bioorg Med Chem 22: 311-24 (2013) Article DOI: 10.1016/j.bmc.2013.11.017 BindingDB Entry DOI: 10.7270/Q2FB54D1
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50190608 (CHEMBL213627 | cis-(3S,6S)-(6-benzhydryl-tetrahydr...) Show SMILES Nc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C25H28N2O/c26-22-13-11-19(12-14-22)17-27-23-15-16-24(28-18-23)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23-25,27H,15-18,26H2/t23-,24-/m0/s1	Reactome pathway UniProtKB/TrEMBL 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
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]-dopamine from rat cerebral cortex NET after 7 mins				Bioorg Med Chem 22: 311-24 (2013) Article DOI: 10.1016/j.bmc.2013.11.017 BindingDB Entry DOI: 10.7270/Q2FB54D1
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50190601 ((2S,4R,5R)-2-benzhydryl-5-[(1H-indol-5-ylmethyl)-a...) Show SMILES O[C@@H]1C[C@H](OC[C@H]1NCc1ccc2[nH]ccc2c1)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H28N2O2/c30-25-16-26(27(20-7-3-1-4-8-20)21-9-5-2-6-10-21)31-18-24(25)29-17-19-11-12-23-22(15-19)13-14-28-23/h1-15,24-30H,16-18H2/t24-,25-,26+/m1/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]-dopamine from rat cerebral cortex NET after 7 mins				Bioorg Med Chem 22: 311-24 (2013) Article DOI: 10.1016/j.bmc.2013.11.017 BindingDB Entry DOI: 10.7270/Q2FB54D1
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50190603 (CHEMBL211077 | cis-(3S,6S)-(6-benzhydryl-tetrahydr...) Show SMILES Oc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C25H27NO2/c27-23-14-11-19(12-15-23)17-26-22-13-16-24(28-18-22)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,14-15,22,24-27H,13,16-18H2/t22-,24-/m0/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]-dopamine from rat cerebral cortex NET after 7 mins				Bioorg Med Chem 22: 311-24 (2013) Article DOI: 10.1016/j.bmc.2013.11.017 BindingDB Entry DOI: 10.7270/Q2FB54D1
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50444871 (CHEMBL3099502) Show SMILES Oc1ccc(CN[C@H]2CC[C@@H](CCC(c3ccccc3)c3ccccc3)OC2)cc1 |r| Show InChI InChI=1S/C27H31NO2/c29-25-14-11-21(12-15-25)19-28-24-13-16-26(30-20-24)17-18-27(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-12,14-15,24,26-29H,13,16-20H2/t24-,26-/m0/s1	Reactome pathway UniProtKB/TrEMBL 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
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]-dopamine from rat cerebral cortex NET after 7 mins				Bioorg Med Chem 22: 311-24 (2013) Article DOI: 10.1016/j.bmc.2013.11.017 BindingDB Entry DOI: 10.7270/Q2FB54D1
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM30130 (CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...) Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]-dopamine from rat cerebral cortex NET after 7 mins				Bioorg Med Chem 22: 311-24 (2013) Article DOI: 10.1016/j.bmc.2013.11.017 BindingDB Entry DOI: 10.7270/Q2FB54D1
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50444868 (CHEMBL3099487) Show SMILES Oc1ccc(CCN[C@@H]2CO[C@@H](C2)C(c2ccccc2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C25H27NO2/c27-23-13-11-19(12-14-23)15-16-26-22-17-24(28-18-22)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,22,24-27H,15-18H2/t22-,24-/m0/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	165	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]-dopamine from rat cerebral cortex NET after 7 mins				Bioorg Med Chem 22: 311-24 (2013) Article DOI: 10.1016/j.bmc.2013.11.017 BindingDB Entry DOI: 10.7270/Q2FB54D1
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50444872 (CHEMBL3099501) Show SMILES Oc1ccc(CN[C@H]2CC[C@@H](CC(c3ccccc3)c3ccccc3)OC2)cc1 |r| Show InChI InChI=1S/C26H29NO2/c28-24-14-11-20(12-15-24)18-27-23-13-16-25(29-19-23)17-26(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-12,14-15,23,25-28H,13,16-19H2/t23-,25-/m0/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	181	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]-dopamine from rat cerebral cortex NET after 7 mins				Bioorg Med Chem 22: 311-24 (2013) Article DOI: 10.1016/j.bmc.2013.11.017 BindingDB Entry DOI: 10.7270/Q2FB54D1
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50444866 (CHEMBL3099489) Show SMILES Fc1ccc(CCN[C@@H]2CO[C@@H](C2)C(c2ccccc2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C25H26FNO/c26-22-13-11-19(12-14-22)15-16-27-23-17-24(28-18-23)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23-25,27H,15-18H2/t23-,24-/m0/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	196	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]-dopamine from rat cerebral cortex NET after 7 mins				Bioorg Med Chem 22: 311-24 (2013) Article DOI: 10.1016/j.bmc.2013.11.017 BindingDB Entry DOI: 10.7270/Q2FB54D1
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50444867 (CHEMBL3099488) Show SMILES COc1ccc(CCN[C@@H]2CO[C@@H](C2)C(c2ccccc2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C26H29NO2/c1-28-24-14-12-20(13-15-24)16-17-27-23-18-25(29-19-23)26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,23,25-27H,16-19H2,1H3/t23-,25-/m0/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	198	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]-dopamine from rat cerebral cortex NET after 7 mins				Bioorg Med Chem 22: 311-24 (2013) Article DOI: 10.1016/j.bmc.2013.11.017 BindingDB Entry DOI: 10.7270/Q2FB54D1
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50444870 (CHEMBL3099485) Show SMILES Oc1ccc(CN[C@H]2CC[C@@H](Cc3ccccc3)OC2)cc1 |r| Show InChI InChI=1S/C19H23NO2/c21-18-9-6-16(7-10-18)13-20-17-8-11-19(22-14-17)12-15-4-2-1-3-5-15/h1-7,9-10,17,19-21H,8,11-14H2/t17-,19-/m0/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]-dopamine from rat cerebral cortex NET after 7 mins				Bioorg Med Chem 22: 311-24 (2013) Article DOI: 10.1016/j.bmc.2013.11.017 BindingDB Entry DOI: 10.7270/Q2FB54D1
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50444865 (CHEMBL3099490) Show SMILES C(Cc1ccccc1)N[C@@H]1CO[C@@H](C1)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H27NO/c1-4-10-20(11-5-1)16-17-26-23-18-24(27-19-23)25(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23-26H,16-19H2/t23-,24-/m0/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	427	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]-dopamine from rat cerebral cortex NET after 7 mins				Bioorg Med Chem 22: 311-24 (2013) Article DOI: 10.1016/j.bmc.2013.11.017 BindingDB Entry DOI: 10.7270/Q2FB54D1
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50444863 (CHEMBL3099492) Show SMILES C(Cc1ccccc1)N[C@H]1CO[C@@H](C1)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H27NO/c1-4-10-20(11-5-1)16-17-26-23-18-24(27-19-23)25(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23-26H,16-19H2/t23-,24+/m1/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	739	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]-dopamine from rat cerebral cortex NET after 7 mins				Bioorg Med Chem 22: 311-24 (2013) Article DOI: 10.1016/j.bmc.2013.11.017 BindingDB Entry DOI: 10.7270/Q2FB54D1
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50444864 (CHEMBL3099491) Show SMILES Oc1ccc(CN[C@H]2CO[C@@H](C2)C(c2ccccc2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C24H25NO2/c26-22-13-11-18(12-14-22)16-25-21-15-23(27-17-21)24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,21,23-26H,15-17H2/t21-,23+/m1/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	975	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]-dopamine from rat cerebral cortex NET after 7 mins				Bioorg Med Chem 22: 311-24 (2013) Article DOI: 10.1016/j.bmc.2013.11.017 BindingDB Entry DOI: 10.7270/Q2FB54D1
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50444869 (CHEMBL3099486) Show SMILES Oc1ccc(CN[C@@H]2CO[C@@H](C2)C(c2ccccc2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C24H25NO2/c26-22-13-11-18(12-14-22)16-25-21-15-23(27-17-21)24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,21,23-26H,15-17H2/t21-,23-/m0/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]-dopamine from rat cerebral cortex NET after 7 mins				Bioorg Med Chem 22: 311-24 (2013) Article DOI: 10.1016/j.bmc.2013.11.017 BindingDB Entry DOI: 10.7270/Q2FB54D1
					More data for this Ligand-Target Pair