Compile Data Set for Download or QSAR

Found 267 hits with Last Name = 'ortega' and Initial = 'f'   

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 dopamine transporter (Homo sapiens (Human))	BDBM50222175 (2-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)cyclope...) Show SMILES Clc1ccc(cc1Cl)C1=C(CCC1)C(=O)NCc1ccco1 |t:9| Show InChI InChI=1S/C17H15Cl2NO2/c18-15-7-6-11(9-16(15)19)13-4-1-5-14(13)17(21)20-10-12-3-2-8-22-12/h2-3,6-9H,1,4-5,10H2,(H,20,21)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human DAT transfected in COS1 cells				Bioorg Med Chem Lett 17: 6019-25 (2007) Article DOI: 10.1016/j.bmcl.2007.07.076 BindingDB Entry DOI: 10.7270/Q24X57HP
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50222179 (CHEMBL248824 | m-tolyl 2-(3,4-dichlorophenyl)cyclo...) Show SMILES Cc1cccc(OC(=O)C2=C(CCC2)c2ccc(Cl)c(Cl)c2)c1 |t:9| Show InChI InChI=1S/C19H16Cl2O2/c1-12-4-2-5-14(10-12)23-19(22)16-7-3-6-15(16)13-8-9-17(20)18(21)11-13/h2,4-5,8-11H,3,6-7H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human DAT transfected in COS1 cells				Bioorg Med Chem Lett 17: 6019-25 (2007) Article DOI: 10.1016/j.bmcl.2007.07.076 BindingDB Entry DOI: 10.7270/Q24X57HP
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50222191 (2-(3,4-dichlorophenyl)-N-(2-fluoroethyl)cyclopent-...) Show SMILES FCCNC(=O)C1=C(CCC1)c1ccc(Cl)c(Cl)c1 |t:6| Show InChI InChI=1S/C14H14Cl2FNO/c15-12-5-4-9(8-13(12)16)10-2-1-3-11(10)14(19)18-7-6-17/h4-5,8H,1-3,6-7H2,(H,18,19)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human DAT transfected in COS1 cells				Bioorg Med Chem Lett 17: 6019-25 (2007) Article DOI: 10.1016/j.bmcl.2007.07.076 BindingDB Entry DOI: 10.7270/Q24X57HP
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50222184 (2-(3,4-dichlorophenyl)-N-(thiophen-2-ylmethyl)cycl...) Show SMILES Clc1ccc(cc1Cl)C1=C(CCC1)C(=O)NCc1cccs1 |t:9| Show InChI InChI=1S/C17H15Cl2NOS/c18-15-7-6-11(9-16(15)19)13-4-1-5-14(13)17(21)20-10-12-3-2-8-22-12/h2-3,6-9H,1,4-5,10H2,(H,20,21)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human DAT transfected in COS1 cells				Bioorg Med Chem Lett 17: 6019-25 (2007) Article DOI: 10.1016/j.bmcl.2007.07.076 BindingDB Entry DOI: 10.7270/Q24X57HP
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50222188 (CHEMBL401071 | phenyl 2-(3,4-dichlorophenyl)cyclop...) Show SMILES Clc1ccc(cc1Cl)C1=C(CCC1)C(=O)Oc1ccccc1 |t:9| Show InChI InChI=1S/C18H14Cl2O2/c19-16-10-9-12(11-17(16)20)14-7-4-8-15(14)18(21)22-13-5-2-1-3-6-13/h1-3,5-6,9-11H,4,7-8H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human DAT transfected in COS1 cells				Bioorg Med Chem Lett 17: 6019-25 (2007) Article DOI: 10.1016/j.bmcl.2007.07.076 BindingDB Entry DOI: 10.7270/Q24X57HP
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50222183 (CHEMBL403570 | o-tolyl 2-(3,4-dichlorophenyl)cyclo...) Show SMILES Cc1ccccc1OC(=O)C1=C(CCC1)c1ccc(Cl)c(Cl)c1 |t:11| Show InChI InChI=1S/C19H16Cl2O2/c1-12-5-2-3-8-18(12)23-19(22)15-7-4-6-14(15)13-9-10-16(20)17(21)11-13/h2-3,5,8-11H,4,6-7H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human DAT transfected in COS1 cells				Bioorg Med Chem Lett 17: 6019-25 (2007) Article DOI: 10.1016/j.bmcl.2007.07.076 BindingDB Entry DOI: 10.7270/Q24X57HP
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50222182 (2-hydroxyethyl 2-(3,4-dichlorophenyl)cyclopent-1-e...) Show SMILES OCCOC(=O)C1=C(CCC1)c1ccc(Cl)c(Cl)c1 |t:6| Show InChI InChI=1S/C14H14Cl2O3/c15-12-5-4-9(8-13(12)16)10-2-1-3-11(10)14(18)19-7-6-17/h4-5,8,17H,1-3,6-7H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human DAT transfected in COS1 cells				Bioorg Med Chem Lett 17: 6019-25 (2007) Article DOI: 10.1016/j.bmcl.2007.07.076 BindingDB Entry DOI: 10.7270/Q24X57HP
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50222178 (CHEMBL403571 | thiophen-2-ylmethyl 2-(3,4-dichloro...) Show SMILES Clc1ccc(cc1Cl)C1=C(CCC1)C(=O)OCc1cccs1 |t:9| Show InChI InChI=1S/C17H14Cl2O2S/c18-15-7-6-11(9-16(15)19)13-4-1-5-14(13)17(20)21-10-12-3-2-8-22-12/h2-3,6-9H,1,4-5,10H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human DAT transfected in COS1 cells				Bioorg Med Chem Lett 17: 6019-25 (2007) Article DOI: 10.1016/j.bmcl.2007.07.076 BindingDB Entry DOI: 10.7270/Q24X57HP
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50222186 (2-fluoroethyl 2-(3,4-dichlorophenyl)cyclopent-1-en...) Show SMILES FCCOC(=O)C1=C(CCC1)c1ccc(Cl)c(Cl)c1 |t:6| Show InChI InChI=1S/C14H13Cl2FO2/c15-12-5-4-9(8-13(12)16)10-2-1-3-11(10)14(18)19-7-6-17/h4-5,8H,1-3,6-7H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human DAT transfected in COS1 cells				Bioorg Med Chem Lett 17: 6019-25 (2007) Article DOI: 10.1016/j.bmcl.2007.07.076 BindingDB Entry DOI: 10.7270/Q24X57HP
					More data for this Ligand-Target Pair
Alpha-mannosidase (Canavalia ensiformis)	BDBM50525020 (CHEMBL4518572) Show SMILES [H][C@]12COC(=O)N1[C@H](NCCCCCCCCCNC(=O)OC(C)(C)C)[C@@H](O)[C@@H](O)[C@@H]2O |r,@:6| Show InChI InChI=1S/C21H39N3O7/c1-21(2,3)31-19(28)23-12-10-8-6-4-5-7-9-11-22-18-17(27)16(26)15(25)14-13-30-20(29)24(14)18/h14-18,22,25-27H,4-13H2,1-3H3,(H,23,28)/t14-,15-,16+,17+,18+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sevilla Curated by ChEMBL					Assay Description Inhibition of jack bean Lysosomal alpha-mannosidase assessed as residual hydrolytic activity after 10 to 30 mins by spectrophotometric analysis				J Med Chem 62: 5832-5843 (2019) Article DOI: 10.1021/acs.jmedchem.9b00153 BindingDB Entry DOI: 10.7270/Q22R3W4H
					More data for this Ligand-Target Pair
Alpha-mannosidase (Canavalia ensiformis)	BDBM50525018 (CHEMBL4465842) Show SMILES [H][C@]12COC(=O)N1[C@H](NCCCCCCn1cc(COC[C@H]3O[C@@H]4O[C@]5([H])[C@@H](COCc6cn(CCCCCCN[C@@H]7[C@@H](O)[C@@H](O)[C@H](O)[C@@]8([H])COC(=O)N78)nn6)O[C@H](O[C@]6([H])[C@@H](COCc7cn(CCCCCCN[C@@H]8[C@@H](O)[C@@H](O)[C@H](O)[C@@]9([H])COC(=O)N89)nn7)O[C@H](O[C@]7([H])[C@@H](COCc8cn(CCCCCCN[C@@H]9[C@@H](O)[C@@H](O)[C@H](O)[C@@]%10([H])COC(=O)N9%10)nn8)O[C@H](O[C@]8([H])[C@@H](COCc9cn(CCCCCCN[C@@H]%10[C@@H](O)[C@@H](O)[C@H](O)[C@@]%11([H])COC(=O)N%10%11)nn9)O[C@]([H])(O[C@@H]9[C@@H](COCc%10cn(CCCCCCN[C@@H]%11[C@@H](O)[C@@H](O)[C@H](O)[C@@]%12([H])COC(=O)N%11%12)nn%10)O[C@H](O[C@]%10([H])[C@@H](COCc%11cn(CCCCCCN[C@@H]%12[C@@H](O)[C@@H](O)[C@H](O)[C@@]%13([H])COC(=O)N%12%13)nn%11)O[C@]([H])(O[C@H]3[C@H](OC)[C@H]4OC)[C@H](OC)[C@H]%10OC)[C@H](OC)[C@H]9OC)[C@H](OC)[C@H]8OC)[C@H](OC)[C@H]7OC)[C@H](OC)[C@H]6OC)[C@H](OC)[C@H]5OC)nn1)[C@@H](O)[C@@H](O)[C@@H]2O |r,@:6,54,89,124,159,194,229| Show InChI InChI=1S/C168H273N35O70/c1-232-134-127-99(78-246-64-85-57-190(183-176-85)50-36-22-15-29-43-169-148-120(218)113(211)106(204)92-71-253-162(225)197(92)148)260-155(141(134)239-8)268-128-100(79-247-65-86-58-191(184-177-86)51-37-23-16-30-44-170-149-121(219)114(212)107(205)93-72-254-163(226)198(93)149)262-157(143(241-10)135(128)233-2)270-130-102(81-249-67-88-60-193(186-179-88)53-39-25-18-32-46-172-151-123(221)116(214)109(207)95-74-256-165(228)200(95)151)264-159(145(243-12)137(130)235-4)272-132-104(83-251-69-90-62-195(188-181-90)55-41-27-20-34-48-174-153-125(223)118(216)111(209)97-76-258-167(230)202(97)153)266-161(147(245-14)139(132)237-6)273-133-105(84-252-70-91-63-196(189-182-91)56-42-28-21-35-49-175-154-126(224)119(217)112(210)98-77-259-168(231)203(98)154)265-160(146(244-13)140(133)238-7)271-131-103(82-250-68-89-61-194(187-180-89)54-40-26-19-33-47-173-152-124(222)117(215)110(208)96-75-257-166(229)201(96)152)263-158(144(242-11)138(131)236-5)269-129-101(261-156(267-127)142(240-9)136(129)234-3)80-248-66-87-59-192(185-178-87)52-38-24-17-31-45-171-150-122(220)115(213)108(206)94-73-255-164(227)199(94)150/h57-63,92-161,169-175,204-224H,15-56,64-84H2,1-14H3/t92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127-,128-,129-,130-,131-,132-,133-,134+,135+,136+,137+,138+,139+,140+,141-,142-,143-,144-,145-,146-,147-,148+,149+,150+,151+,152+,153+,154+,155-,156-,157-,158-,159-,160-,161-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sevilla Curated by ChEMBL					Assay Description Inhibition of jack bean Lysosomal alpha-mannosidase assessed as residual hydrolytic activity after 10 to 30 mins by spectrophotometric analysis				J Med Chem 62: 5832-5843 (2019) Article DOI: 10.1021/acs.jmedchem.9b00153 BindingDB Entry DOI: 10.7270/Q22R3W4H
					More data for this Ligand-Target Pair
Alpha-mannosidase (Canavalia ensiformis)	BDBM50525017 (CHEMBL4462117) Show SMILES [H][C@]12COC(=O)N1[C@H](NCCCCCCn1cc(COC[C@H]3O[C@@H]4O[C@]5([H])[C@@H](COC)O[C@H](O[C@]6([H])[C@@H](COC)O[C@H](O[C@]7([H])[C@@H](COC)O[C@H](O[C@]8([H])[C@@H](COC)O[C@]([H])(O[C@@H]9[C@@H](COC)O[C@H](O[C@]%10([H])[C@@H](COC)O[C@]([H])(O[C@H]3[C@H](OC)[C@H]4OC)[C@H](OC)[C@H]%10OC)[C@H](OC)[C@H]9OC)[C@H](OC)[C@H]8OC)[C@H](OC)[C@H]7OC)[C@H](OC)[C@H]6OC)[C@H](OC)[C@H]5OC)nn1)[C@@H](O)[C@@H](O)[C@@H]2O |r,@:6| Show InChI InChI=1S/C78H135N5O40/c1-88-30-39-49-56(94-7)64(102-15)72(111-39)119-51-41(32-90-3)113-74(66(104-17)58(51)96-9)121-53-43(34-92-5)115-76(68(106-19)60(53)98-11)123-55-45(36-108-28-37-27-82(81-80-37)26-24-22-21-23-25-79-70-48(86)47(85)46(84)38-29-109-78(87)83(38)70)116-77(69(107-20)62(55)100-13)122-54-44(35-93-6)114-75(67(105-18)61(54)99-12)120-52-42(33-91-4)112-73(65(103-16)59(52)97-10)118-50-40(31-89-2)110-71(117-49)63(101-14)57(50)95-8/h27,38-77,79,84-86H,21-26,28-36H2,1-20H3/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47+,48+,49-,50-,51-,52-,53-,54-,55-,56+,57+,58+,59+,60+,61+,62+,63-,64-,65-,66-,67-,68-,69-,70+,71-,72-,73-,74-,75-,76-,77-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sevilla Curated by ChEMBL					Assay Description Inhibition of jack bean Lysosomal alpha-mannosidase assessed as residual hydrolytic activity after 10 to 30 mins by spectrophotometric analysis				J Med Chem 62: 5832-5843 (2019) Article DOI: 10.1021/acs.jmedchem.9b00153 BindingDB Entry DOI: 10.7270/Q22R3W4H
					More data for this Ligand-Target Pair
Alpha-mannosidase (Canavalia ensiformis)	BDBM50525014 (CHEMBL4475419) Show SMILES [H][C@]12COC(=O)N1[C@H](NCCCCCCn1cc(CCC)nn1)[C@@H](O)[C@@H](O)[C@@H]2O |r,@:6| Show InChI InChI=1S/C18H31N5O5/c1-2-7-12-10-22(21-20-12)9-6-4-3-5-8-19-17-16(26)15(25)14(24)13-11-28-18(27)23(13)17/h10,13-17,19,24-26H,2-9,11H2,1H3/t13-,14-,15+,16+,17+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sevilla Curated by ChEMBL					Assay Description Inhibition of jack bean Lysosomal alpha-mannosidase assessed as residual hydrolytic activity after 10 to 30 mins by spectrophotometric analysis				J Med Chem 62: 5832-5843 (2019) Article DOI: 10.1021/acs.jmedchem.9b00153 BindingDB Entry DOI: 10.7270/Q22R3W4H
					More data for this Ligand-Target Pair
Alpha-mannosidase (Canavalia ensiformis)	BDBM50525016 (CHEMBL4457217) Show SMILES [H][C@]12COC(=O)N1[C@H](NCCCCCCCCCN=[N+]=[N-])[C@@H](O)[C@@H](O)[C@@H]2O |r,@:6| Show InChI InChI=1S/C16H29N5O5/c17-20-19-9-7-5-3-1-2-4-6-8-18-15-14(24)13(23)12(22)11-10-26-16(25)21(11)15/h11-15,18,22-24H,1-10H2/t11-,12-,13+,14+,15+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sevilla Curated by ChEMBL					Assay Description Inhibition of jack bean Lysosomal alpha-mannosidase assessed as residual hydrolytic activity after 10 to 30 mins by spectrophotometric analysis				J Med Chem 62: 5832-5843 (2019) Article DOI: 10.1021/acs.jmedchem.9b00153 BindingDB Entry DOI: 10.7270/Q22R3W4H
					More data for this Ligand-Target Pair
Alpha-mannosidase (Canavalia ensiformis)	BDBM50525015 (CHEMBL4435118) Show SMILES [H][C@]12COC(=O)N1[C@H](NCCCCCCN=[N+]=[N-])[C@@H](O)[C@@H](O)[C@@H]2O |r,@:6| Show InChI InChI=1S/C13H23N5O5/c14-17-16-6-4-2-1-3-5-15-12-11(21)10(20)9(19)8-7-23-13(22)18(8)12/h8-12,15,19-21H,1-7H2/t8-,9-,10+,11+,12+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sevilla Curated by ChEMBL					Assay Description Inhibition of jack bean Lysosomal alpha-mannosidase assessed as residual hydrolytic activity after 10 to 30 mins by spectrophotometric analysis				J Med Chem 62: 5832-5843 (2019) Article DOI: 10.1021/acs.jmedchem.9b00153 BindingDB Entry DOI: 10.7270/Q22R3W4H
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50222185 (2-(3,4-dichlorophenyl)-N-methoxycyclopent-1-enecar...) Show SMILES CONC(=O)C1=C(CCC1)c1ccc(Cl)c(Cl)c1 |t:5| Show InChI InChI=1S/C13H13Cl2NO2/c1-18-16-13(17)10-4-2-3-9(10)8-5-6-11(14)12(15)7-8/h5-7H,2-4H2,1H3,(H,16,17)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human DAT transfected in COS1 cells				Bioorg Med Chem Lett 17: 6019-25 (2007) Article DOI: 10.1016/j.bmcl.2007.07.076 BindingDB Entry DOI: 10.7270/Q24X57HP
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50222187 (CHEMBL248825 | furan-2-ylmethyl 2-(3,4-dichlorophe...) Show SMILES Clc1ccc(cc1Cl)C1=C(CCC1)C(=O)OCc1ccco1 |t:9| Show InChI InChI=1S/C17H14Cl2O3/c18-15-7-6-11(9-16(15)19)13-4-1-5-14(13)17(20)22-10-12-3-2-8-21-12/h2-3,6-9H,1,4-5,10H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human DAT transfected in COS1 cells				Bioorg Med Chem Lett 17: 6019-25 (2007) Article DOI: 10.1016/j.bmcl.2007.07.076 BindingDB Entry DOI: 10.7270/Q24X57HP
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50211023 (CHEMBL245061 | methyl 2-(3,4-dichlorophenyl)cyclop...) Show SMILES COC(=O)C1=C(CCC1)c1ccc(Cl)c(Cl)c1 |t:4| Show InChI InChI=1S/C13H12Cl2O2/c1-17-13(16)10-4-2-3-9(10)8-5-6-11(14)12(15)7-8/h5-7H,2-4H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human DAT transfected in COS1 cells				Bioorg Med Chem Lett 17: 6019-25 (2007) Article DOI: 10.1016/j.bmcl.2007.07.076 BindingDB Entry DOI: 10.7270/Q24X57HP
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50222176 (CHEMBL401069 | isopropyl 2-(3,4-dichlorophenyl)cyc...) Show SMILES CC(C)OC(=O)C1=C(CCC1)c1ccc(Cl)c(Cl)c1 |t:6| Show InChI InChI=1S/C15H16Cl2O2/c1-9(2)19-15(18)12-5-3-4-11(12)10-6-7-13(16)14(17)8-10/h6-9H,3-5H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human DAT transfected in COS1 cells				Bioorg Med Chem Lett 17: 6019-25 (2007) Article DOI: 10.1016/j.bmcl.2007.07.076 BindingDB Entry DOI: 10.7270/Q24X57HP
					More data for this Ligand-Target Pair
Alpha-mannosidase (Canavalia ensiformis)	BDBM50525019 (CHEMBL4471561) Show SMILES [H][C@]12COC(=O)N1[C@H](NCCCCCCCC)[C@@H](O)[C@@H](O)[C@@H]2O |r,@:6| Show InChI InChI=1S/C15H28N2O5/c1-2-3-4-5-6-7-8-16-14-13(20)12(19)11(18)10-9-22-15(21)17(10)14/h10-14,16,18-20H,2-9H2,1H3/t10-,11-,12+,13+,14+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sevilla Curated by ChEMBL					Assay Description Inhibition of jack bean Lysosomal alpha-mannosidase assessed as residual hydrolytic activity after 10 to 30 mins by spectrophotometric analysis				J Med Chem 62: 5832-5843 (2019) Article DOI: 10.1021/acs.jmedchem.9b00153 BindingDB Entry DOI: 10.7270/Q22R3W4H
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50222177 (2,2,2-trifluoroethyl 2-(3,4-dichlorophenyl)cyclope...) Show SMILES FC(F)(F)COC(=O)C1=C(CCC1)c1ccc(Cl)c(Cl)c1 |t:8| Show InChI InChI=1S/C14H11Cl2F3O2/c15-11-5-4-8(6-12(11)16)9-2-1-3-10(9)13(20)21-7-14(17,18)19/h4-6H,1-3,7H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human DAT transfected in COS1 cells				Bioorg Med Chem Lett 17: 6019-25 (2007) Article DOI: 10.1016/j.bmcl.2007.07.076 BindingDB Entry DOI: 10.7270/Q24X57HP
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50222186 (2-fluoroethyl 2-(3,4-dichlorophenyl)cyclopent-1-en...) Show SMILES FCCOC(=O)C1=C(CCC1)c1ccc(Cl)c(Cl)c1 |t:6| Show InChI InChI=1S/C14H13Cl2FO2/c15-12-5-4-9(8-13(12)16)10-2-1-3-11(10)14(18)19-7-6-17/h4-5,8H,1-3,6-7H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human NET transfected in COS1 cells				Bioorg Med Chem Lett 17: 6019-25 (2007) Article DOI: 10.1016/j.bmcl.2007.07.076 BindingDB Entry DOI: 10.7270/Q24X57HP
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50222192 (2-(3,4-dichlorophenyl)-N-methoxy-N-methylcyclopent...) Show SMILES CON(C)C(=O)C1=C(CCC1)c1ccc(Cl)c(Cl)c1 |t:6| Show InChI InChI=1S/C14H15Cl2NO2/c1-17(19-2)14(18)11-5-3-4-10(11)9-6-7-12(15)13(16)8-9/h6-8H,3-5H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human DAT transfected in COS1 cells				Bioorg Med Chem Lett 17: 6019-25 (2007) Article DOI: 10.1016/j.bmcl.2007.07.076 BindingDB Entry DOI: 10.7270/Q24X57HP
					More data for this Ligand-Target Pair
Alpha-mannosidase (Canavalia ensiformis)	BDBM50525021 (CHEMBL4483772) Show SMILES [H][C@]12COC(=O)N1[C@H](N)[C@@H](O)[C@@H](O)[C@@H]2O |r| Show InChI InChI=1S/C7H12N2O5/c8-6-5(12)4(11)3(10)2-1-14-7(13)9(2)6/h2-6,10-12H,1,8H2/t2-,3-,4+,5+,6+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sevilla Curated by ChEMBL					Assay Description Inhibition of jack bean Lysosomal alpha-mannosidase assessed as residual hydrolytic activity after 10 to 30 mins by spectrophotometric analysis				J Med Chem 62: 5832-5843 (2019) Article DOI: 10.1021/acs.jmedchem.9b00153 BindingDB Entry DOI: 10.7270/Q22R3W4H
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50222191 (2-(3,4-dichlorophenyl)-N-(2-fluoroethyl)cyclopent-...) Show SMILES FCCNC(=O)C1=C(CCC1)c1ccc(Cl)c(Cl)c1 |t:6| Show InChI InChI=1S/C14H14Cl2FNO/c15-12-5-4-9(8-13(12)16)10-2-1-3-11(10)14(19)18-7-6-17/h4-5,8H,1-3,6-7H2,(H,18,19)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human NET transfected in COS1 cells				Bioorg Med Chem Lett 17: 6019-25 (2007) Article DOI: 10.1016/j.bmcl.2007.07.076 BindingDB Entry DOI: 10.7270/Q24X57HP
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50222189 (CHEMBL402924 | N-cyclobutyl-2-(3,4-dichlorophenyl)...) Show SMILES Clc1ccc(cc1Cl)C1=C(CCC1)C(=O)NC1CCC1 |t:9| Show InChI InChI=1S/C16H17Cl2NO/c17-14-8-7-10(9-15(14)18)12-5-2-6-13(12)16(20)19-11-3-1-4-11/h7-9,11H,1-6H2,(H,19,20)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human DAT transfected in COS1 cells				Bioorg Med Chem Lett 17: 6019-25 (2007) Article DOI: 10.1016/j.bmcl.2007.07.076 BindingDB Entry DOI: 10.7270/Q24X57HP
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50222182 (2-hydroxyethyl 2-(3,4-dichlorophenyl)cyclopent-1-e...) Show SMILES OCCOC(=O)C1=C(CCC1)c1ccc(Cl)c(Cl)c1 |t:6| Show InChI InChI=1S/C14H14Cl2O3/c15-12-5-4-9(8-13(12)16)10-2-1-3-11(10)14(18)19-7-6-17/h4-5,8,17H,1-3,6-7H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human NET transfected in COS1 cells				Bioorg Med Chem Lett 17: 6019-25 (2007) Article DOI: 10.1016/j.bmcl.2007.07.076 BindingDB Entry DOI: 10.7270/Q24X57HP
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50222185 (2-(3,4-dichlorophenyl)-N-methoxycyclopent-1-enecar...) Show SMILES CONC(=O)C1=C(CCC1)c1ccc(Cl)c(Cl)c1 |t:5| Show InChI InChI=1S/C13H13Cl2NO2/c1-18-16-13(17)10-4-2-3-9(10)8-5-6-11(14)12(15)7-8/h5-7H,2-4H2,1H3,(H,16,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human NET transfected in COS1 cells				Bioorg Med Chem Lett 17: 6019-25 (2007) Article DOI: 10.1016/j.bmcl.2007.07.076 BindingDB Entry DOI: 10.7270/Q24X57HP
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50222180 ((2-(3,4-dichlorophenyl)cyclopent-1-enyl)(morpholin...) Show SMILES Clc1ccc(cc1Cl)C1=C(CCC1)C(=O)N1CCOCC1 |t:9| Show InChI InChI=1S/C16H17Cl2NO2/c17-14-5-4-11(10-15(14)18)12-2-1-3-13(12)16(20)19-6-8-21-9-7-19/h4-5,10H,1-3,6-9H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human DAT transfected in COS1 cells				Bioorg Med Chem Lett 17: 6019-25 (2007) Article DOI: 10.1016/j.bmcl.2007.07.076 BindingDB Entry DOI: 10.7270/Q24X57HP
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50211023 (CHEMBL245061 | methyl 2-(3,4-dichlorophenyl)cyclop...) Show SMILES COC(=O)C1=C(CCC1)c1ccc(Cl)c(Cl)c1 |t:4| Show InChI InChI=1S/C13H12Cl2O2/c1-17-13(16)10-4-2-3-9(10)8-5-6-11(14)12(15)7-8/h5-7H,2-4H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human NET transfected in COS1 cells				Bioorg Med Chem Lett 17: 6019-25 (2007) Article DOI: 10.1016/j.bmcl.2007.07.076 BindingDB Entry DOI: 10.7270/Q24X57HP
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50222175 (2-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)cyclope...) Show SMILES Clc1ccc(cc1Cl)C1=C(CCC1)C(=O)NCc1ccco1 |t:9| Show InChI InChI=1S/C17H15Cl2NO2/c18-15-7-6-11(9-16(15)19)13-4-1-5-14(13)17(21)20-10-12-3-2-8-22-12/h2-3,6-9H,1,4-5,10H2,(H,20,21)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human NET transfected in COS1 cells				Bioorg Med Chem Lett 17: 6019-25 (2007) Article DOI: 10.1016/j.bmcl.2007.07.076 BindingDB Entry DOI: 10.7270/Q24X57HP
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50222190 (CHEMBL399430 | cyclohexyl 2-(3,4-dichlorophenyl)cy...) Show SMILES Clc1ccc(cc1Cl)C1=C(CCC1)C(=O)OC1CCCCC1 |t:9| Show InChI InChI=1S/C18H20Cl2O2/c19-16-10-9-12(11-17(16)20)14-7-4-8-15(14)18(21)22-13-5-2-1-3-6-13/h9-11,13H,1-8H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human DAT transfected in COS1 cells				Bioorg Med Chem Lett 17: 6019-25 (2007) Article DOI: 10.1016/j.bmcl.2007.07.076 BindingDB Entry DOI: 10.7270/Q24X57HP
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50222184 (2-(3,4-dichlorophenyl)-N-(thiophen-2-ylmethyl)cycl...) Show SMILES Clc1ccc(cc1Cl)C1=C(CCC1)C(=O)NCc1cccs1 |t:9| Show InChI InChI=1S/C17H15Cl2NOS/c18-15-7-6-11(9-16(15)19)13-4-1-5-14(13)17(21)20-10-12-3-2-8-22-12/h2-3,6-9H,1,4-5,10H2,(H,20,21)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human NET transfected in COS1 cells				Bioorg Med Chem Lett 17: 6019-25 (2007) Article DOI: 10.1016/j.bmcl.2007.07.076 BindingDB Entry DOI: 10.7270/Q24X57HP
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50222187 (CHEMBL248825 | furan-2-ylmethyl 2-(3,4-dichlorophe...) Show SMILES Clc1ccc(cc1Cl)C1=C(CCC1)C(=O)OCc1ccco1 |t:9| Show InChI InChI=1S/C17H14Cl2O3/c18-15-7-6-11(9-16(15)19)13-4-1-5-14(13)17(20)22-10-12-3-2-8-21-12/h2-3,6-9H,1,4-5,10H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human SERT transfected in COS1 cells				Bioorg Med Chem Lett 17: 6019-25 (2007) Article DOI: 10.1016/j.bmcl.2007.07.076 BindingDB Entry DOI: 10.7270/Q24X57HP
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50222175 (2-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)cyclope...) Show SMILES Clc1ccc(cc1Cl)C1=C(CCC1)C(=O)NCc1ccco1 |t:9| Show InChI InChI=1S/C17H15Cl2NO2/c18-15-7-6-11(9-16(15)19)13-4-1-5-14(13)17(21)20-10-12-3-2-8-22-12/h2-3,6-9H,1,4-5,10H2,(H,20,21)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human SERT transfected in COS1 cells				Bioorg Med Chem Lett 17: 6019-25 (2007) Article DOI: 10.1016/j.bmcl.2007.07.076 BindingDB Entry DOI: 10.7270/Q24X57HP
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50222176 (CHEMBL401069 | isopropyl 2-(3,4-dichlorophenyl)cyc...) Show SMILES CC(C)OC(=O)C1=C(CCC1)c1ccc(Cl)c(Cl)c1 |t:6| Show InChI InChI=1S/C15H16Cl2O2/c1-9(2)19-15(18)12-5-3-4-11(12)10-6-7-13(16)14(17)8-10/h6-9H,3-5H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human NET transfected in COS1 cells				Bioorg Med Chem Lett 17: 6019-25 (2007) Article DOI: 10.1016/j.bmcl.2007.07.076 BindingDB Entry DOI: 10.7270/Q24X57HP
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50222183 (CHEMBL403570 | o-tolyl 2-(3,4-dichlorophenyl)cyclo...) Show SMILES Cc1ccccc1OC(=O)C1=C(CCC1)c1ccc(Cl)c(Cl)c1 |t:11| Show InChI InChI=1S/C19H16Cl2O2/c1-12-5-2-3-8-18(12)23-19(22)15-7-4-6-14(15)13-9-10-16(20)17(21)11-13/h2-3,5,8-11H,4,6-7H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human NET transfected in COS1 cells				Bioorg Med Chem Lett 17: 6019-25 (2007) Article DOI: 10.1016/j.bmcl.2007.07.076 BindingDB Entry DOI: 10.7270/Q24X57HP
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50222178 (CHEMBL403571 | thiophen-2-ylmethyl 2-(3,4-dichloro...) Show SMILES Clc1ccc(cc1Cl)C1=C(CCC1)C(=O)OCc1cccs1 |t:9| Show InChI InChI=1S/C17H14Cl2O2S/c18-15-7-6-11(9-16(15)19)13-4-1-5-14(13)17(20)21-10-12-3-2-8-22-12/h2-3,6-9H,1,4-5,10H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human NET transfected in COS1 cells				Bioorg Med Chem Lett 17: 6019-25 (2007) Article DOI: 10.1016/j.bmcl.2007.07.076 BindingDB Entry DOI: 10.7270/Q24X57HP
					More data for this Ligand-Target Pair
Beta-glucosidase (Prunus avium)	BDBM50186735 (CHEMBL208021 | D-1,4-dideoxy-4,4-difluoromannonoji...) Show SMILES OC[C@H]1NC[C@@H](O)[C@@H](O)C1(F)F Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4-,5-/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	6.8	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of almond beta glucosidase at pH 6.8				J Med Chem 49: 2989-97 (2006) Article DOI: 10.1021/jm060066q BindingDB Entry DOI: 10.7270/Q29P318F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50222182 (2-hydroxyethyl 2-(3,4-dichlorophenyl)cyclopent-1-e...) Show SMILES OCCOC(=O)C1=C(CCC1)c1ccc(Cl)c(Cl)c1 |t:6| Show InChI InChI=1S/C14H14Cl2O3/c15-12-5-4-9(8-13(12)16)10-2-1-3-11(10)14(18)19-7-6-17/h4-5,8,17H,1-3,6-7H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human SERT transfected in COS1 cells				Bioorg Med Chem Lett 17: 6019-25 (2007) Article DOI: 10.1016/j.bmcl.2007.07.076 BindingDB Entry DOI: 10.7270/Q24X57HP
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50222189 (CHEMBL402924 | N-cyclobutyl-2-(3,4-dichlorophenyl)...) Show SMILES Clc1ccc(cc1Cl)C1=C(CCC1)C(=O)NC1CCC1 |t:9| Show InChI InChI=1S/C16H17Cl2NO/c17-14-8-7-10(9-15(14)18)12-5-2-6-13(12)16(20)19-11-3-1-4-11/h7-9,11H,1-6H2,(H,19,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human NET transfected in COS1 cells				Bioorg Med Chem Lett 17: 6019-25 (2007) Article DOI: 10.1016/j.bmcl.2007.07.076 BindingDB Entry DOI: 10.7270/Q24X57HP
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50222181 ((2-(3,4-dichlorophenyl)cyclopent-1-enyl)(pyrrolidi...) Show SMILES Clc1ccc(cc1Cl)C1=C(CCC1)C(=O)N1CCCC1 |t:9| Show InChI InChI=1S/C16H17Cl2NO/c17-14-7-6-11(10-15(14)18)12-4-3-5-13(12)16(20)19-8-1-2-9-19/h6-7,10H,1-5,8-9H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human DAT transfected in COS1 cells				Bioorg Med Chem Lett 17: 6019-25 (2007) Article DOI: 10.1016/j.bmcl.2007.07.076 BindingDB Entry DOI: 10.7270/Q24X57HP
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50222187 (CHEMBL248825 | furan-2-ylmethyl 2-(3,4-dichlorophe...) Show SMILES Clc1ccc(cc1Cl)C1=C(CCC1)C(=O)OCc1ccco1 |t:9| Show InChI InChI=1S/C17H14Cl2O3/c18-15-7-6-11(9-16(15)19)13-4-1-5-14(13)17(20)22-10-12-3-2-8-21-12/h2-3,6-9H,1,4-5,10H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human NET transfected in COS1 cells				Bioorg Med Chem Lett 17: 6019-25 (2007) Article DOI: 10.1016/j.bmcl.2007.07.076 BindingDB Entry DOI: 10.7270/Q24X57HP
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50222188 (CHEMBL401071 | phenyl 2-(3,4-dichlorophenyl)cyclop...) Show SMILES Clc1ccc(cc1Cl)C1=C(CCC1)C(=O)Oc1ccccc1 |t:9| Show InChI InChI=1S/C18H14Cl2O2/c19-16-10-9-12(11-17(16)20)14-7-4-8-15(14)18(21)22-13-5-2-1-3-6-13/h1-3,5-6,9-11H,4,7-8H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human NET transfected in COS1 cells				Bioorg Med Chem Lett 17: 6019-25 (2007) Article DOI: 10.1016/j.bmcl.2007.07.076 BindingDB Entry DOI: 10.7270/Q24X57HP
					More data for this Ligand-Target Pair
Beta-glucosidase (Prunus avium)	BDBM50186735 (CHEMBL208021 | D-1,4-dideoxy-4,4-difluoromannonoji...) Show SMILES OC[C@H]1NC[C@@H](O)[C@@H](O)C1(F)F Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4-,5-/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of almond beta glucosidase at pH 5				J Med Chem 49: 2989-97 (2006) Article DOI: 10.1021/jm060066q BindingDB Entry DOI: 10.7270/Q29P318F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50222174 (2-(3,4-dichlorophenyl)-N,N-diethylcyclopent-1-enec...) Show SMILES CCN(CC)C(=O)C1=C(CCC1)c1ccc(Cl)c(Cl)c1 |t:7| Show InChI InChI=1S/C16H19Cl2NO/c1-3-19(4-2)16(20)13-7-5-6-12(13)11-8-9-14(17)15(18)10-11/h8-10H,3-7H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human DAT transfected in COS1 cells				Bioorg Med Chem Lett 17: 6019-25 (2007) Article DOI: 10.1016/j.bmcl.2007.07.076 BindingDB Entry DOI: 10.7270/Q24X57HP
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50222179 (CHEMBL248824 | m-tolyl 2-(3,4-dichlorophenyl)cyclo...) Show SMILES Cc1cccc(OC(=O)C2=C(CCC2)c2ccc(Cl)c(Cl)c2)c1 |t:9| Show InChI InChI=1S/C19H16Cl2O2/c1-12-4-2-5-14(10-12)23-19(22)16-7-3-6-15(16)13-8-9-17(20)18(21)11-13/h2,4-5,8-11H,3,6-7H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human NET transfected in COS1 cells				Bioorg Med Chem Lett 17: 6019-25 (2007) Article DOI: 10.1016/j.bmcl.2007.07.076 BindingDB Entry DOI: 10.7270/Q24X57HP
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50222184 (2-(3,4-dichlorophenyl)-N-(thiophen-2-ylmethyl)cycl...) Show SMILES Clc1ccc(cc1Cl)C1=C(CCC1)C(=O)NCc1cccs1 |t:9| Show InChI InChI=1S/C17H15Cl2NOS/c18-15-7-6-11(9-16(15)19)13-4-1-5-14(13)17(21)20-10-12-3-2-8-22-12/h2-3,6-9H,1,4-5,10H2,(H,20,21)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human SERT transfected in COS1 cells				Bioorg Med Chem Lett 17: 6019-25 (2007) Article DOI: 10.1016/j.bmcl.2007.07.076 BindingDB Entry DOI: 10.7270/Q24X57HP
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50222190 (CHEMBL399430 | cyclohexyl 2-(3,4-dichlorophenyl)cy...) Show SMILES Clc1ccc(cc1Cl)C1=C(CCC1)C(=O)OC1CCCCC1 |t:9| Show InChI InChI=1S/C18H20Cl2O2/c19-16-10-9-12(11-17(16)20)14-7-4-8-15(14)18(21)22-13-5-2-1-3-6-13/h9-11,13H,1-8H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human NET transfected in COS1 cells				Bioorg Med Chem Lett 17: 6019-25 (2007) Article DOI: 10.1016/j.bmcl.2007.07.076 BindingDB Entry DOI: 10.7270/Q24X57HP
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50222177 (2,2,2-trifluoroethyl 2-(3,4-dichlorophenyl)cyclope...) Show SMILES FC(F)(F)COC(=O)C1=C(CCC1)c1ccc(Cl)c(Cl)c1 |t:8| Show InChI InChI=1S/C14H11Cl2F3O2/c15-11-5-4-8(6-12(11)16)9-2-1-3-10(9)13(20)21-7-14(17,18)19/h4-6H,1-3,7H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human NET transfected in COS1 cells				Bioorg Med Chem Lett 17: 6019-25 (2007) Article DOI: 10.1016/j.bmcl.2007.07.076 BindingDB Entry DOI: 10.7270/Q24X57HP
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 267 total )  |  Next  |  Last  >>

Jump to: