Compile Data Set for Download or QSAR

Found 1487 hits with Last Name = 'wanner' and Initial = 'kt'   

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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50220541 (CHEMBL392158 | Fallypride | N-(((S)-1-allylpyrroli...) Show SMILES COc1cc(CCCF)cc(C(=O)NC[C@@H]2CCCN2CC=C)c1OC |r| Show InChI InChI=1S/C20H29FN2O3/c1-4-10-23-11-6-8-16(23)14-22-20(24)17-12-15(7-5-9-21)13-18(25-2)19(17)26-3/h4,12-13,16H,1,5-11,14H2,2-3H3,(H,22,24)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.0970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2 receptor transfected in HEK cells				J Med Chem 57: 4368-81 (2014) Article DOI: 10.1021/jm5004123 BindingDB Entry DOI: 10.7270/Q2697543
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50366495 ((+)butaclamol | CHEMBL1255588) Show SMILES CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc([C@H]2C1)c34 |r| Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2 receptor transfected in HEK cells				J Med Chem 57: 4368-81 (2014) Article DOI: 10.1021/jm5004123 BindingDB Entry DOI: 10.7270/Q2697543
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50015491 (CHEMBL3265329) Show SMILES FCCCc1cccc(c1)C(=O)NC[C@@H]1CCCN1CC=C |r| Show InChI InChI=1S/C18H25FN2O/c1-2-11-21-12-5-9-17(21)14-20-18(22)16-8-3-6-15(13-16)7-4-10-19/h2-3,6,8,13,17H,1,4-5,7,9-12,14H2,(H,20,22)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2 receptor transfected in HEK cells				J Med Chem 57: 4368-81 (2014) Article DOI: 10.1021/jm5004123 BindingDB Entry DOI: 10.7270/Q2697543
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2 receptor transfected in HEK cells				J Med Chem 57: 4368-81 (2014) Article DOI: 10.1021/jm5004123 BindingDB Entry DOI: 10.7270/Q2697543
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50005118 ((S)-3,5-Dichloro-N-(1-ethyl-pyrrolidin-2-ylmethyl)...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC Show InChI InChI=1S/C15H20Cl2N2O3/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2/h7,9,20H,3-6,8H2,1-2H3,(H,18,21)/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2 receptor transfected in HEK cells				J Med Chem 57: 4368-81 (2014) Article DOI: 10.1021/jm5004123 BindingDB Entry DOI: 10.7270/Q2697543
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50015511 (CHEMBL3265049) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCCCN1C(=O)CC(SCCCc2cc(OC)c(OC)c(c2)C(=O)NC[C@@H]2CCCN2CC=C)C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O |r| Show InChI InChI=1S/C82H122N18O20S/c1-7-28-98-29-13-17-58(98)49-89-74(106)60-41-55(43-66(115-5)72(60)116-6)16-15-40-121-67-46-70(104)100(80(67)112)30-11-9-10-20-68(102)87-27-33-118-35-37-120-39-38-119-36-34-117-32-25-69(103)93-62(44-56-47-85-50-90-56)76(108)92-53(4)73(105)97-71(52(3)8-2)78(110)95-63(42-54-21-23-59(101)24-22-54)79(111)99-31-14-19-65(99)77(109)94-61(18-12-26-88-82(83)84)75(107)96-64(81(113)114)45-57-48-86-51-91-57/h7,21-24,41,43,47-48,50-53,58,61-65,67,71,101H,1,8-20,25-40,42,44-46,49H2,2-6H3,(H,85,90)(H,86,91)(H,87,102)(H,89,106)(H,92,108)(H,93,103)(H,94,109)(H,95,110)(H,96,107)(H,97,105)(H,113,114)(H4,83,84,88)/t52-,53-,58-,61-,62-,63-,64-,65-,67?,71-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2 receptor transfected in HEK cells				J Med Chem 57: 4368-81 (2014) Article DOI: 10.1021/jm5004123 BindingDB Entry DOI: 10.7270/Q2697543
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50526264 (CHEMBL4452694) Show SMILES Cl.OC(=O)[C@@H]1CCCN(CCO\N=C\c2ccccc2-c2ccc(F)cc2Cl)C1 |r| Show InChI InChI=1S/C21H22ClFN2O3.ClH/c22-20-12-17(23)7-8-19(20)18-6-2-1-4-15(18)13-24-28-11-10-25-9-3-5-16(14-25)21(26)27;/h1-2,4,6-8,12-13,16H,3,5,9-11,14H2,(H,26,27);1H/b24-13+;/t16-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University M£nchen Curated by ChEMBL					Assay Description Binding affinity to mouse GAT-1 expressed in HEK293 cells after 4 hrs in presence of NO711 by LC-ESI-MS/ms analysis				Bioorg Med Chem 27: 1232-1245 (2019) Article DOI: 10.1016/j.bmc.2019.02.015 BindingDB Entry DOI: 10.7270/Q2P272J5
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50526265 (CHEMBL4520656) Show SMILES Cl.OC(=O)C1=CCCN(CCO\N=C\c2ccccc2-c2ccc(F)cc2F)C1 |t:3| Show InChI InChI=1S/C21H20F2N2O3/c22-17-7-8-19(20(23)12-17)18-6-2-1-4-15(18)13-24-28-11-10-25-9-3-5-16(14-25)21(26)27/h1-2,4-8,12-13H,3,9-11,14H2,(H,26,27)/b24-13+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University M£nchen Curated by ChEMBL					Assay Description Binding affinity to mouse GAT-1 expressed in HEK293 cells after 4 hrs in presence of NO711 by LC-ESI-MS/ms analysis				Bioorg Med Chem 27: 1232-1245 (2019) Article DOI: 10.1016/j.bmc.2019.02.015 BindingDB Entry DOI: 10.7270/Q2P272J5
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50563999 (CHEMBL4595698) Show SMILES OC(=O)C1=CCCN(CCO\N=C\c2ccccc2-c2ccc(Cl)cc2Cl)C1 |t:3| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]NO711 from mouse GAT1 expressed in HEK293 cells measured after 40 mins of incubation by LC-ESI-MS-MS method				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111920 BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50526262 (CHEMBL4439989) Show SMILES Cl.OC(=O)C1=CCCN(CCO\N=C\c2ccccc2-c2ccc(Cl)cc2Cl)C1 |t:3| Show InChI InChI=1S/C21H20Cl2N2O3/c22-17-7-8-19(20(23)12-17)18-6-2-1-4-15(18)13-24-28-11-10-25-9-3-5-16(14-25)21(26)27/h1-2,4-8,12-13H,3,9-11,14H2,(H,26,27)/b24-13+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University M£nchen Curated by ChEMBL					Assay Description Binding affinity to mouse GAT-1 expressed in HEK293 cells after 4 hrs in presence of NO711 by LC-ESI-MS/ms analysis				Bioorg Med Chem 27: 1232-1245 (2019) Article DOI: 10.1016/j.bmc.2019.02.015 BindingDB Entry DOI: 10.7270/Q2P272J5
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50526261 (CHEMBL4565664) Show SMILES Cl.OC(=O)[C@@H]1CCCN(CCO\N=C\c2ccccc2-c2ccc(Cl)cc2Cl)C1 |r| Show InChI InChI=1S/C21H22Cl2N2O3.ClH/c22-17-7-8-19(20(23)12-17)18-6-2-1-4-15(18)13-24-28-11-10-25-9-3-5-16(14-25)21(26)27;/h1-2,4,6-8,12-13,16H,3,5,9-11,14H2,(H,26,27);1H/b24-13+;/t16-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University M£nchen Curated by ChEMBL					Assay Description Binding affinity to mouse GAT-1 expressed in HEK293 cells after 4 hrs in presence of NO711 by LC-ESI-MS/ms analysis				Bioorg Med Chem 27: 1232-1245 (2019) Article DOI: 10.1016/j.bmc.2019.02.015 BindingDB Entry DOI: 10.7270/Q2P272J5
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50526260 (CHEMBL4554639) Show SMILES Cl.OC(=O)[C@@H]1CCCN(CCO\N=C\c2ccccc2-c2ccc(F)cc2F)C1 |r| Show InChI InChI=1S/C21H22F2N2O3.ClH/c22-17-7-8-19(20(23)12-17)18-6-2-1-4-15(18)13-24-28-11-10-25-9-3-5-16(14-25)21(26)27;/h1-2,4,6-8,12-13,16H,3,5,9-11,14H2,(H,26,27);1H/b24-13+;/t16-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University M£nchen Curated by ChEMBL					Assay Description Binding affinity to mouse GAT-1 expressed in HEK293 cells after 4 hrs in presence of NO711 by LC-ESI-MS/ms analysis				Bioorg Med Chem 27: 1232-1245 (2019) Article DOI: 10.1016/j.bmc.2019.02.015 BindingDB Entry DOI: 10.7270/Q2P272J5
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50015527 (CHEMBL3265321) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCNC(=O)O\N=C\c1ccc(cc1)[Si](F)(C(C)(C)C)C(C)(C)C)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCCCN1C(=O)CC(SCCCc2cc(OC)c(OC)c(c2)C(=O)NC[C@@H]2CCCN2CC=C)C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O |r| Show InChI InChI=1S/C104H156FN21O23SSi/c1-13-42-124-43-21-25-74(124)64-113-92(132)77-55-71(57-84(143-11)90(77)144-12)24-23-54-150-85-60-88(130)126(99(85)139)44-19-15-16-29-86(128)110-41-47-146-49-51-148-53-52-147-50-48-145-46-38-87(129)118-78(26-17-18-39-112-102(142)149-116-61-70-32-36-76(37-33-70)151(105,103(5,6)7)104(8,9)10)93(133)120-80(58-72-62-108-65-114-72)95(135)117-68(4)91(131)123-89(67(3)14-2)97(137)121-81(56-69-30-34-75(127)35-31-69)98(138)125-45-22-28-83(125)96(136)119-79(27-20-40-111-101(106)107)94(134)122-82(100(140)141)59-73-63-109-66-115-73/h13,30-37,55,57,61-63,65-68,74,78-83,85,89,127H,1,14-29,38-54,56,58-60,64H2,2-12H3,(H,108,114)(H,109,115)(H,110,128)(H,112,142)(H,113,132)(H,117,135)(H,118,129)(H,119,136)(H,120,133)(H,121,137)(H,122,134)(H,123,131)(H,140,141)(H4,106,107,111)/b116-61+/t67-,68-,74-,78-,79-,80-,81-,82-,83-,85?,89-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2 receptor transfected in HEK cells				J Med Chem 57: 4368-81 (2014) Article DOI: 10.1021/jm5004123 BindingDB Entry DOI: 10.7270/Q2697543
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50001888 ((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...) Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2 receptor transfected in HEK cells				J Med Chem 57: 4368-81 (2014) Article DOI: 10.1021/jm5004123 BindingDB Entry DOI: 10.7270/Q2697543
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50015532 (CHEMBL3265324) Show SMILES COc1cc(CCCSC2CC(=O)N(CCCCCC(=O)NCCOCCOCCOCCOCCC(N)=O)C2=O)cc(C(=O)NC[C@@H]2CCCN2CC=C)c1OC |r| Show InChI InChI=1S/C41H65N5O11S/c1-4-15-45-16-8-11-32(45)30-44-40(50)33-27-31(28-34(52-2)39(33)53-3)10-9-26-58-35-29-38(49)46(41(35)51)17-7-5-6-12-37(48)43-14-19-55-21-23-57-25-24-56-22-20-54-18-13-36(42)47/h4,27-28,32,35H,1,5-26,29-30H2,2-3H3,(H2,42,47)(H,43,48)(H,44,50)/t32-,35?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2 receptor transfected in HEK cells				J Med Chem 57: 4368-81 (2014) Article DOI: 10.1021/jm5004123 BindingDB Entry DOI: 10.7270/Q2697543
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50015499 (CHEMBL3265045) Show SMILES COc1cc(CCCSC2CC(=O)N(CCCCCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCCNC(=O)CN3CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc3ccc(O)cc3)C(O)=O)C2=O)cc(C(=O)NC[C@@H]2CCCN2CC=C)c1OC |r| Show InChI InChI=1S/C150H216N36O44S/c1-6-56-185-57-25-34-95(185)78-162-131(210)98-68-94(74-113(229-4)130(98)230-5)33-26-67-231-114-77-122(199)186(147(114)226)58-22-10-17-39-117(194)179-128(87(2)188)145(224)177-108(71-91-31-15-9-16-32-91)141(220)173-107(70-90-29-13-8-14-30-90)140(219)172-105(72-92-40-44-96(190)45-41-92)133(212)163-79-118(195)161-80-119(196)166-112(86-187)144(223)167-99(37-23-54-159-149(154)155)132(211)164-81-120(197)165-100(36-19-21-53-158-121(198)82-181-59-61-182(83-125(204)205)63-65-184(85-127(208)209)66-64-183(62-60-181)84-126(206)207)134(213)168-102(38-24-55-160-150(156)157)135(214)175-109(75-115(152)192)143(222)176-110(76-116(153)193)142(221)174-106(69-89-27-11-7-12-28-89)139(218)169-101(35-18-20-52-151)138(217)180-129(88(3)189)146(225)171-104(49-51-124(202)203)136(215)170-103(48-50-123(200)201)137(216)178-111(148(227)228)73-93-42-46-97(191)47-43-93/h6-9,11-16,27-32,40-47,68,74,87-88,95,99-112,114,128-129,187-191H,1,10,17-26,33-39,48-67,69-73,75-86,151H2,2-5H3,(H2,152,192)(H2,153,193)(H,158,198)(H,161,195)(H,162,210)(H,163,212)(H,164,211)(H,165,197)(H,166,196)(H,167,223)(H,168,213)(H,169,218)(H,170,215)(H,171,225)(H,172,219)(H,173,220)(H,174,221)(H,175,214)(H,176,222)(H,177,224)(H,178,216)(H,179,194)(H,180,217)(H,200,201)(H,202,203)(H,204,205)(H,206,207)(H,208,209)(H,227,228)(H4,154,155,159)(H4,156,157,160)/t87-,88-,95+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,114?,128+,129+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2 receptor transfected in HEK cells				J Med Chem 57: 4368-81 (2014) Article DOI: 10.1021/jm5004123 BindingDB Entry DOI: 10.7270/Q2697543
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50015497 (CHEMBL3265043) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCCCCN1C(=O)CC(SCCCc2cc(OC)c(OC)c(c2)C(=O)NC[C@@H]2CCCN2CC=C)C1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C134H209N37O26S2/c1-9-63-170-64-33-38-84(170)77-153-114(177)87-68-81(70-104(196-6)113(87)197-7)37-34-66-199-105-74-110(176)171(130(105)193)65-29-13-16-50-109(175)154-90(47-30-60-148-132(142)143)115(178)159-97(52-54-107(140)173)123(186)169-111(78(4)10-2)128(191)162-93(45-23-27-58-137)122(185)168-112(79(5)11-3)129(192)167-102(72-83-76-152-89-42-20-18-40-86(83)89)126(189)164-100(69-80-35-14-12-15-36-80)124(187)160-96(51-53-106(139)172)120(183)166-103(73-108(141)174)127(190)158-95(49-32-62-150-134(146)147)116(179)156-94(48-31-61-149-133(144)145)117(180)161-98(55-67-198-8)121(184)155-92(44-22-26-57-136)119(182)165-101(71-82-75-151-88-41-19-17-39-85(82)88)125(188)157-91(43-21-25-56-135)118(181)163-99(131(194)195)46-24-28-59-138/h9,12,14-15,17-20,35-36,39-42,68,70,75-76,78-79,84,90-103,105,111-112,151-152H,1,10-11,13,16,21-34,37-38,43-67,69,71-74,77,135-138H2,2-8H3,(H2,139,172)(H2,140,173)(H2,141,174)(H,153,177)(H,154,175)(H,155,184)(H,156,179)(H,157,188)(H,158,190)(H,159,178)(H,160,187)(H,161,180)(H,162,191)(H,163,181)(H,164,189)(H,165,182)(H,166,183)(H,167,192)(H,168,185)(H,169,186)(H,194,195)(H4,142,143,148)(H4,144,145,149)(H4,146,147,150)/t78-,79-,84-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,105?,111-,112-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2 receptor transfected in HEK cells				J Med Chem 57: 4368-81 (2014) Article DOI: 10.1021/jm5004123 BindingDB Entry DOI: 10.7270/Q2697543
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50015493 (CHEMBL3265039) Show SMILES COc1cc(CCCSC2CC(=O)N(CCCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C2=O)cc(C(=O)NC[C@@H]2CCCN2CC=C)c1OC |r| Show InChI InChI=1S/C83H147N33O17S/c1-4-41-115-42-18-21-50(115)48-105-67(120)51-45-49(46-61(132-2)66(51)133-3)20-19-44-134-62-47-65(119)116(76(62)129)43-11-5-6-30-64(118)106-52(24-12-35-99-78(87)88)68(121)107-53(22-7-9-33-84)69(122)108-54(23-8-10-34-85)70(123)109-55(25-13-36-100-79(89)90)71(124)110-57(27-15-38-102-81(93)94)73(126)113-59(31-32-63(86)117)75(128)112-56(26-14-37-101-80(91)92)72(125)111-58(28-16-39-103-82(95)96)74(127)114-60(77(130)131)29-17-40-104-83(97)98/h4,45-46,50,52-60,62H,1,5-44,47-48,84-85H2,2-3H3,(H2,86,117)(H,105,120)(H,106,118)(H,107,121)(H,108,122)(H,109,123)(H,110,124)(H,111,125)(H,112,128)(H,113,126)(H,114,127)(H,130,131)(H4,87,88,99)(H4,89,90,100)(H4,91,92,101)(H4,93,94,102)(H4,95,96,103)(H4,97,98,104)/t50-,52-,53-,54-,55-,56-,57-,58-,59-,60-,62?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	9.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2 receptor transfected in HEK cells				J Med Chem 57: 4368-81 (2014) Article DOI: 10.1021/jm5004123 BindingDB Entry DOI: 10.7270/Q2697543
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50526259 (CHEMBL4565745) Show SMILES Cl.OC(=O)C1CCCN(CCO\N=C\c2ccccc2-c2ccc(F)cc2Cl)C1 Show InChI InChI=1S/C21H22ClFN2O3.ClH/c22-20-12-17(23)7-8-19(20)18-6-2-1-4-15(18)13-24-28-11-10-25-9-3-5-16(14-25)21(26)27;/h1-2,4,6-8,12-13,16H,3,5,9-11,14H2,(H,26,27);1H/b24-13+;	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University M£nchen Curated by ChEMBL					Assay Description Binding affinity to mouse GAT-1 expressed in HEK293 cells after 4 hrs in presence of NO711 by LC-ESI-MS/ms analysis				Bioorg Med Chem 27: 1232-1245 (2019) Article DOI: 10.1016/j.bmc.2019.02.015 BindingDB Entry DOI: 10.7270/Q2P272J5
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50015494 (CHEMBL3265040) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCCCN1C(=O)CC(SCCCc2cc(OC)c(OC)c(c2)C(=O)NC[C@@H]2CCCN2CC=C)C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O |r| Show InChI InChI=1S/C71H101N17O15S/c1-7-26-86-27-13-17-48(86)39-77-63(93)50-31-45(33-56(102-5)61(50)103-6)16-15-30-104-57-36-59(91)88(69(57)99)28-11-9-10-20-58(90)81-52(34-46-37-74-40-78-46)65(95)80-43(4)62(92)85-60(42(3)8-2)67(97)83-53(32-44-21-23-49(89)24-22-44)68(98)87-29-14-19-55(87)66(96)82-51(18-12-25-76-71(72)73)64(94)84-54(70(100)101)35-47-38-75-41-79-47/h7,21-24,31,33,37-38,40-43,48,51-55,57,60,89H,1,8-20,25-30,32,34-36,39H2,2-6H3,(H,74,78)(H,75,79)(H,77,93)(H,80,95)(H,81,90)(H,82,96)(H,83,97)(H,84,94)(H,85,92)(H,100,101)(H4,72,73,76)/t42-,43-,48-,51-,52-,53-,54-,55-,57?,60-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2 receptor transfected in HEK cells				J Med Chem 57: 4368-81 (2014) Article DOI: 10.1021/jm5004123 BindingDB Entry DOI: 10.7270/Q2697543
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50526258 (CHEMBL4455995) Show SMILES Cl.OC(=O)C1CCCN(CCO\N=C\c2ccccc2-c2ccc(Cl)cc2Cl)C1 Show InChI InChI=1S/C21H22Cl2N2O3.ClH/c22-17-7-8-19(20(23)12-17)18-6-2-1-4-15(18)13-24-28-11-10-25-9-3-5-16(14-25)21(26)27;/h1-2,4,6-8,12-13,16H,3,5,9-11,14H2,(H,26,27);1H/b24-13+;	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University M£nchen Curated by ChEMBL					Assay Description Binding affinity to mouse GAT-1 expressed in HEK293 cells after 4 hrs in presence of NO711 by LC-ESI-MS/ms analysis				Bioorg Med Chem 27: 1232-1245 (2019) Article DOI: 10.1016/j.bmc.2019.02.015 BindingDB Entry DOI: 10.7270/Q2P272J5
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50526257 (CHEMBL4555282) Show SMILES Cl.OC(=O)C1CCCN(CCO\N=C\c2sccc2-c2ccc(Cl)cc2Cl)C1 Show InChI InChI=1S/C19H20Cl2N2O3S.ClH/c20-14-3-4-15(17(21)10-14)16-5-9-27-18(16)11-22-26-8-7-23-6-1-2-13(12-23)19(24)25;/h3-5,9-11,13H,1-2,6-8,12H2,(H,24,25);1H/b22-11+;	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University M£nchen Curated by ChEMBL					Assay Description Binding affinity to mouse GAT-1 expressed in HEK293 cells after 4 hrs in presence of NO711 by LC-ESI-MS/ms analysis				Bioorg Med Chem 27: 1232-1245 (2019) Article DOI: 10.1016/j.bmc.2019.02.015 BindingDB Entry DOI: 10.7270/Q2P272J5
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50015496 (CHEMBL3265042) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CCCCCN1C(=O)CC(SCCCc2cc(OC)c(OC)c(c2)C(=O)NC[C@@H]2CCCN2CC=C)C1=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(O)=O |r| Show InChI InChI=1S/C164H265N35O41S/c1-28-63-198-64-44-47-105(198)82-171-144(217)108-74-103(76-126(239-26)138(108)240-27)46-45-66-241-127-80-132(207)199(163(127)236)65-43-31-32-54-128(203)170-83-129(204)181-121(77-104-81-169-109-49-34-33-48-107(104)109)158(231)197-137(101(25)201)162(235)191-119(72-92(14)15)154(227)190-122(78-133(208)209)157(230)194-125(86-200)159(232)175-96(20)139(212)172-84-131(206)180-120(75-102-55-57-106(202)58-56-102)155(228)188-118(71-91(12)13)153(226)187-114(67-87(4)5)145(218)173-85-130(205)179-110(50-35-39-59-165)148(221)195-135(94(18)29-2)160(233)192-123(79-134(210)211)156(229)189-117(70-90(10)11)152(225)184-111(51-36-40-60-166)146(219)176-100(24)143(216)186-115(68-88(6)7)150(223)177-97(21)140(213)174-98(22)142(215)185-116(69-89(8)9)151(224)178-99(23)141(214)182-112(52-37-41-61-167)147(220)183-113(53-38-42-62-168)149(222)196-136(95(19)30-3)161(234)193-124(164(237)238)73-93(16)17/h28,33-34,48-49,55-58,74,76,81,87-101,105,110-125,127,135-137,169,200-202H,1,29-32,35-47,50-54,59-73,75,77-80,82-86,165-168H2,2-27H3,(H,170,203)(H,171,217)(H,172,212)(H,173,218)(H,174,213)(H,175,232)(H,176,219)(H,177,223)(H,178,224)(H,179,205)(H,180,206)(H,181,204)(H,182,214)(H,183,220)(H,184,225)(H,185,215)(H,186,216)(H,187,226)(H,188,228)(H,189,229)(H,190,227)(H,191,235)(H,192,233)(H,193,234)(H,194,230)(H,195,221)(H,196,222)(H,197,231)(H,208,209)(H,210,211)(H,237,238)/t94-,95-,96-,97-,98-,99-,100-,101+,105-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,127?,135-,136-,137-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2 receptor transfected in HEK cells				J Med Chem 57: 4368-81 (2014) Article DOI: 10.1021/jm5004123 BindingDB Entry DOI: 10.7270/Q2697543
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50015498 (CHEMBL3265044) Show SMILES COc1cc(CCCSC2CC(=O)N(CCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N3CCC[C@H]3C(O)=O)C2=O)cc(C(=O)NC[C@@H]2CCCN2CC=C)c1OC |r| Show InChI InChI=1S/C85H143N23O19S2/c1-9-39-106-40-19-23-53(106)49-96-72(113)54-46-52(47-64(126-6)71(54)127-7)22-21-43-129-65-48-69(112)108(82(65)123)41-16-10-11-29-68(111)105-70(51(4)5)80(121)102-60(31-33-67(89)110)78(119)100-57(26-17-37-94-84(90)91)74(115)97-55(24-12-14-35-86)73(114)99-58(27-18-38-95-85(92)93)75(116)101-59(30-32-66(88)109)77(118)98-56(25-13-15-36-87)76(117)104-62(45-50(2)3)79(120)103-61(34-44-128-8)81(122)107-42-20-28-63(107)83(124)125/h9,46-47,50-51,53,55-63,65,70H,1,10-45,48-49,86-87H2,2-8H3,(H2,88,109)(H2,89,110)(H,96,113)(H,97,115)(H,98,118)(H,99,114)(H,100,119)(H,101,116)(H,102,121)(H,103,120)(H,104,117)(H,105,111)(H,124,125)(H4,90,91,94)(H4,92,93,95)/t53-,55-,56-,57-,58-,59-,60-,61-,62-,63-,65?,70-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
McGill University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2 receptor transfected in HEK cells				J Med Chem 57: 4368-81 (2014) Article DOI: 10.1021/jm5004123 BindingDB Entry DOI: 10.7270/Q2697543
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50526263 (CHEMBL4475547) Show SMILES Cl.OC(=O)C1CCCN(CCO\N=C\c2ccccc2-c2ccc(F)cc2F)C1 Show InChI InChI=1S/C21H22F2N2O3.ClH/c22-17-7-8-19(20(23)12-17)18-6-2-1-4-15(18)13-24-28-11-10-25-9-3-5-16(14-25)21(26)27;/h1-2,4,6-8,12-13,16H,3,5,9-11,14H2,(H,26,27);1H/b24-13+;	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University M£nchen Curated by ChEMBL					Assay Description Binding affinity to mouse GAT-1 expressed in HEK293 cells after 4 hrs in presence of NO711 by LC-ESI-MS/ms analysis				Bioorg Med Chem 27: 1232-1245 (2019) Article DOI: 10.1016/j.bmc.2019.02.015 BindingDB Entry DOI: 10.7270/Q2P272J5
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50526256 (CHEMBL4551183) Show SMILES Cl.OC(=O)C1CCCN(CCO\N=C\c2cc(F)ccc2-c2ccc(Cl)cc2Cl)C1 Show InChI InChI=1S/C21H21Cl2FN2O3.ClH/c22-16-3-5-19(20(23)11-16)18-6-4-17(24)10-15(18)12-25-29-9-8-26-7-1-2-14(13-26)21(27)28;/h3-6,10-12,14H,1-2,7-9,13H2,(H,27,28);1H/b25-12+;	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University M£nchen Curated by ChEMBL					Assay Description Binding affinity to mouse GAT-1 expressed in HEK293 cells after 4 hrs in presence of NO711 by LC-ESI-MS/ms analysis				Bioorg Med Chem 27: 1232-1245 (2019) Article DOI: 10.1016/j.bmc.2019.02.015 BindingDB Entry DOI: 10.7270/Q2P272J5
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50015492 (CHEMBL3265038) Show SMILES COc1cc(CCCSC2CC(=O)N(CCCCCC(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N3CCC[C@H]3C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(N)=O)C(O)=O)C2=O)cc(C(=O)NC[C@@H]2CCCN2CC=C)c1OC |r| Show InChI InChI=1S/C100H172N38O22S/c1-4-47-135-48-18-23-59(135)56-124-81(144)60-53-58(54-73(159-2)80(60)160-3)22-21-52-161-74-55-79(143)138(93(74)156)49-11-5-6-34-77(141)123-57-78(142)125-61(26-12-41-117-95(105)106)82(145)126-62(24-7-9-39-101)83(146)127-63(25-8-10-40-102)84(147)128-64(27-13-42-118-96(107)108)85(148)129-66(29-15-44-120-98(111)112)87(150)132-68(35-37-75(103)139)89(152)131-65(28-14-43-119-97(109)110)86(149)130-67(30-16-45-121-99(113)114)88(151)133-69(31-17-46-122-100(115)116)91(154)137-51-20-33-72(137)92(155)136-50-19-32-71(136)90(153)134-70(94(157)158)36-38-76(104)140/h4,53-54,59,61-72,74H,1,5-52,55-57,101-102H2,2-3H3,(H2,103,139)(H2,104,140)(H,123,141)(H,124,144)(H,125,142)(H,126,145)(H,127,146)(H,128,147)(H,129,148)(H,130,149)(H,131,152)(H,132,150)(H,133,151)(H,134,153)(H,157,158)(H4,105,106,117)(H4,107,108,118)(H4,109,110,119)(H4,111,112,120)(H4,113,114,121)(H4,115,116,122)/t59-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,74?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2 receptor transfected in HEK cells				J Med Chem 57: 4368-81 (2014) Article DOI: 10.1021/jm5004123 BindingDB Entry DOI: 10.7270/Q2697543
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50015502 (CHEMBL3265048) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCOCCOCCOCCCNC(=O)CCCCCN1C(=O)CC(SCCCc2cc(OC)c(OC)c(c2)C(=O)NC[C@@H]2CCCN2CC=C)C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O |r| Show InChI InChI=1S/C81H120N18O19S/c1-7-29-97-30-13-18-57(97)48-88-73(105)59-40-54(42-65(114-5)71(59)115-6)17-15-39-119-66-45-69(103)99(79(66)111)31-11-9-10-21-67(101)86-28-16-33-116-35-37-118-38-36-117-34-26-68(102)92-61(43-55-46-84-49-89-55)75(107)91-52(4)72(104)96-70(51(3)8-2)77(109)94-62(41-53-22-24-58(100)25-23-53)78(110)98-32-14-20-64(98)76(108)93-60(19-12-27-87-81(82)83)74(106)95-63(80(112)113)44-56-47-85-50-90-56/h7,22-25,40,42,46-47,49-52,57,60-64,66,70,100H,1,8-21,26-39,41,43-45,48H2,2-6H3,(H,84,89)(H,85,90)(H,86,101)(H,88,105)(H,91,107)(H,92,102)(H,93,108)(H,94,109)(H,95,106)(H,96,104)(H,112,113)(H4,82,83,87)/t51-,52-,57-,60-,61-,62-,63-,64-,66?,70-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2 receptor transfected in HEK cells				J Med Chem 57: 4368-81 (2014) Article DOI: 10.1021/jm5004123 BindingDB Entry DOI: 10.7270/Q2697543
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50015514 (CHEMBL3265316) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCN1C(=O)CC(SCCCc2cc(OC)c(OC)c(c2)C(=O)NC[C@@H]2CCCN2CC=C)C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O |r| Show InChI InChI=1S/C98H154N18O28S/c1-7-28-114-29-13-17-74(114)65-105-90(122)76-57-71(59-82(131-5)88(76)132-6)16-15-56-145-83-62-86(120)116(96(83)128)30-11-9-10-20-84(118)103-27-33-134-35-37-136-39-41-138-43-45-140-47-49-142-51-53-144-55-54-143-52-50-141-48-46-139-44-42-137-40-38-135-36-34-133-32-25-85(119)109-78(60-72-63-101-66-106-72)92(124)108-69(4)89(121)113-87(68(3)8-2)94(126)111-79(58-70-21-23-75(117)24-22-70)95(127)115-31-14-19-81(115)93(125)110-77(18-12-26-104-98(99)100)91(123)112-80(97(129)130)61-73-64-102-67-107-73/h7,21-24,57,59,63-64,66-69,74,77-81,83,87,117H,1,8-20,25-56,58,60-62,65H2,2-6H3,(H,101,106)(H,102,107)(H,103,118)(H,105,122)(H,108,124)(H,109,119)(H,110,125)(H,111,126)(H,112,123)(H,113,121)(H,129,130)(H4,99,100,104)/t68-,69-,74-,77-,78-,79-,80-,81-,83?,87-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2 receptor transfected in HEK cells				J Med Chem 57: 4368-81 (2014) Article DOI: 10.1021/jm5004123 BindingDB Entry DOI: 10.7270/Q2697543
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50015515 (CHEMBL3265317) Show SMILES COc1cc(CCCSC2CC(=O)N(CCCCCC(=O)NCCOCCOCCOCCOCCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCCNC(=O)CN3CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc3ccc(O)cc3)C(O)=O)C2=O)cc(C(=O)NC[C@@H]2CCCN2CC=C)c1OC |r| Show InChI InChI=1S/C161H237N37O49S/c1-6-58-197-59-25-34-105(197)88-174-142(223)108-78-104(84-123(242-4)141(108)243-5)33-26-77-248-124-87-133(212)198(158(124)239)60-22-10-17-39-127(206)170-57-70-245-72-74-247-76-75-246-73-71-244-69-52-128(207)191-139(97(2)200)156(237)189-118(81-101-31-15-9-16-32-101)152(233)185-117(80-100-29-13-8-14-30-100)151(232)184-115(82-102-40-44-106(202)45-41-102)144(225)175-89-129(208)173-90-130(209)178-122(96-199)155(236)179-109(37-23-55-171-160(165)166)143(224)176-91-131(210)177-110(36-19-21-54-169-132(211)92-193-61-63-194(93-136(217)218)65-67-196(95-138(221)222)68-66-195(64-62-193)94-137(219)220)145(226)180-112(38-24-56-172-161(167)168)146(227)187-119(85-125(163)204)154(235)188-120(86-126(164)205)153(234)186-116(79-99-27-11-7-12-28-99)150(231)181-111(35-18-20-53-162)149(230)192-140(98(3)201)157(238)183-114(49-51-135(215)216)147(228)182-113(48-50-134(213)214)148(229)190-121(159(240)241)83-103-42-46-107(203)47-43-103/h6-9,11-16,27-32,40-47,78,84,97-98,105,109-122,124,139-140,199-203H,1,10,17-26,33-39,48-77,79-83,85-96,162H2,2-5H3,(H2,163,204)(H2,164,205)(H,169,211)(H,170,206)(H,173,208)(H,174,223)(H,175,225)(H,176,224)(H,177,210)(H,178,209)(H,179,236)(H,180,226)(H,181,231)(H,182,228)(H,183,238)(H,184,232)(H,185,233)(H,186,234)(H,187,227)(H,188,235)(H,189,237)(H,190,229)(H,191,207)(H,192,230)(H,213,214)(H,215,216)(H,217,218)(H,219,220)(H,221,222)(H,240,241)(H4,165,166,171)(H4,167,168,172)/t97-,98-,105+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,124?,139+,140+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
McGill University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2 receptor transfected in HEK cells				J Med Chem 57: 4368-81 (2014) Article DOI: 10.1021/jm5004123 BindingDB Entry DOI: 10.7270/Q2697543
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50015495 (CHEMBL3265041) Show SMILES COc1cc(CCCSC2CC(=O)N(CCCCCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N3CCC[C@H]3C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CO)C(=O)N3CCC[C@H]3C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N3CCC[C@H]3C(O)=O)C2=O)cc(C(=O)NC[C@@H]2CCCN2CC=C)c1OC |r| Show InChI InChI=1S/C101H140N22O21S2/c1-8-37-118-38-17-24-64(118)55-108-87(128)67-46-60(47-80(143-5)86(67)144-6)23-22-44-146-81-51-83(127)123(99(81)140)39-15-9-10-34-82(126)116-85(59(4)125)94(135)113-73(50-63-54-104-57-109-63)90(131)111-71(29-16-36-105-101(102)103)95(136)121-42-20-32-78(121)98(139)120-41-19-30-76(120)91(132)110-70(35-45-145-7)88(129)112-72(48-61-52-106-68-27-13-11-25-65(61)68)89(130)115-75(56-124)97(138)119-40-18-31-77(119)92(133)117-84(58(2)3)93(134)114-74(96(137)122-43-21-33-79(122)100(141)142)49-62-53-107-69-28-14-12-26-66(62)69/h8,11-14,25-28,46-47,52-54,57-59,64,70-79,81,84-85,106-107,124-125H,1,9-10,15-24,29-45,48-51,55-56H2,2-7H3,(H,104,109)(H,108,128)(H,110,132)(H,111,131)(H,112,129)(H,113,135)(H,114,134)(H,115,130)(H,116,126)(H,117,133)(H,141,142)(H4,102,103,105)/t59-,64+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,81?,84+,85+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2 receptor transfected in HEK cells				J Med Chem 57: 4368-81 (2014) Article DOI: 10.1021/jm5004123 BindingDB Entry DOI: 10.7270/Q2697543
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50015512 (CHEMBL3265314) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCN1C(=O)CC(SCCCc2cc(OC)c(OC)c(c2)C(=O)NC[C@@H]2CCCN2CC=C)C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O |r| Show InChI InChI=1S/C86H130N18O22S/c1-7-28-102-29-13-17-62(102)53-93-78(110)64-45-59(47-70(119-5)76(64)120-6)16-15-44-127-71-50-74(108)104(84(71)116)30-11-9-10-20-72(106)91-27-33-122-35-37-124-39-41-126-43-42-125-40-38-123-36-34-121-32-25-73(107)97-66(48-60-51-89-54-94-60)80(112)96-57(4)77(109)101-75(56(3)8-2)82(114)99-67(46-58-21-23-63(105)24-22-58)83(115)103-31-14-19-69(103)81(113)98-65(18-12-26-92-86(87)88)79(111)100-68(85(117)118)49-61-52-90-55-95-61/h7,21-24,45,47,51-52,54-57,62,65-69,71,75,105H,1,8-20,25-44,46,48-50,53H2,2-6H3,(H,89,94)(H,90,95)(H,91,106)(H,93,110)(H,96,112)(H,97,107)(H,98,113)(H,99,114)(H,100,111)(H,101,109)(H,117,118)(H4,87,88,92)/t56-,57-,62-,65-,66-,67-,68-,69-,71?,75-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2 receptor transfected in HEK cells				J Med Chem 57: 4368-81 (2014) Article DOI: 10.1021/jm5004123 BindingDB Entry DOI: 10.7270/Q2697543
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50015500 (CHEMBL3265046) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCNC(=O)CCCCCN1C(=O)CC(SCCCc2cc(OC)c(OC)c(c2)C(=O)NC[C@@H]2CCCN2CC=C)C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O |r| Show InChI InChI=1S/C75H108N18O16S/c1-7-29-91-30-14-18-51(91)42-82-67(99)53-34-48(36-59(108-5)65(53)109-6)17-16-33-110-60-39-63(97)93(73(60)105)31-11-9-10-21-61(95)80-27-13-22-62(96)86-55(37-49-40-78-43-83-49)69(101)85-46(4)66(98)90-64(45(3)8-2)71(103)88-56(35-47-23-25-52(94)26-24-47)72(104)92-32-15-20-58(92)70(102)87-54(19-12-28-81-75(76)77)68(100)89-57(74(106)107)38-50-41-79-44-84-50/h7,23-26,34,36,40-41,43-46,51,54-58,60,64,94H,1,8-22,27-33,35,37-39,42H2,2-6H3,(H,78,83)(H,79,84)(H,80,95)(H,82,99)(H,85,101)(H,86,96)(H,87,102)(H,88,103)(H,89,100)(H,90,98)(H,106,107)(H4,76,77,81)/t45-,46-,51-,54-,55-,56-,57-,58-,60?,64-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2 receptor transfected in HEK cells				J Med Chem 57: 4368-81 (2014) Article DOI: 10.1021/jm5004123 BindingDB Entry DOI: 10.7270/Q2697543
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50039251 ((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...) Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6] |r| Show InChI InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-Universit£t M£nchen Curated by ChEMBL					Assay Description Inhibition of NO711 binding to mouse GAT1 expressed in HEK293 cell membranes assessed as residual binding preincubated for 4 hrs followed by NO711 ad...				J Med Chem 61: 10310-10332 (2018) Article DOI: 10.1021/acs.jmedchem.8b01602 BindingDB Entry DOI: 10.7270/Q2NS0Z8M
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50015501 (CHEMBL3265047) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)COCCOCCNC(=O)CCCCCN1C(=O)CC(SCCCc2cc(OC)c(OC)c(c2)C(=O)NC[C@@H]2CCCN2CC=C)C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O |r| Show InChI InChI=1S/C77H112N18O18S/c1-7-27-93-28-13-17-53(93)43-84-69(101)55-35-50(37-61(110-5)67(55)111-6)16-15-34-114-62-40-65(99)95(75(62)107)29-11-9-10-20-63(97)82-26-31-112-32-33-113-44-64(98)88-57(38-51-41-80-45-85-51)71(103)87-48(4)68(100)92-66(47(3)8-2)73(105)90-58(36-49-21-23-54(96)24-22-49)74(106)94-30-14-19-60(94)72(104)89-56(18-12-25-83-77(78)79)70(102)91-59(76(108)109)39-52-42-81-46-86-52/h7,21-24,35,37,41-42,45-48,53,56-60,62,66,96H,1,8-20,25-34,36,38-40,43-44H2,2-6H3,(H,80,85)(H,81,86)(H,82,97)(H,84,101)(H,87,103)(H,88,98)(H,89,104)(H,90,105)(H,91,102)(H,92,100)(H,108,109)(H4,78,79,83)/t47-,48-,53-,56-,57-,58-,59-,60-,62?,66-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2 receptor transfected in HEK cells				J Med Chem 57: 4368-81 (2014) Article DOI: 10.1021/jm5004123 BindingDB Entry DOI: 10.7270/Q2697543
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50466795 (CHEMBL4292451) Show SMILES OC(=O)C1CCCN(C\C=C\CC(c2ccccc2)c2ccccc2)C1 Show InChI InChI=1S/C23H27NO2/c25-23(26)21-14-9-17-24(18-21)16-8-7-15-22(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-8,10-13,21-22H,9,14-18H2,(H,25,26)/b8-7+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-Universit£t M£nchen Curated by ChEMBL					Assay Description Displacement of NO711 from mouse GAT1 expressed in stable HEK293 cells preincubated for 10 mins followed by NO711 addition and measured after 40 mins...				Bioorg Med Chem 26: 5944-5961 (2018) Article DOI: 10.1016/j.bmc.2018.11.002 BindingDB Entry DOI: 10.7270/Q28K7CSG
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50015518 (CHEMBL3265318) Show SMILES COc1cc(CCCSC2CC(=O)N(CCCCCC(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCCNC(=O)CN3CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc3ccc(O)cc3)C(O)=O)C2=O)cc(C(=O)NC[C@@H]2CCCN2CC=C)c1OC |r| Show InChI InChI=1S/C165H245N37O51S/c1-6-58-201-59-25-34-109(201)92-178-146(227)112-82-108(88-127(246-4)145(112)247-5)33-26-81-254-128-91-137(216)202(162(128)243)60-22-10-17-39-131(210)174-57-70-249-72-74-251-76-78-253-80-79-252-77-75-250-73-71-248-69-52-132(211)195-143(101(2)204)160(241)193-122(85-105-31-15-9-16-32-105)156(237)189-121(84-104-29-13-8-14-30-104)155(236)188-119(86-106-40-44-110(206)45-41-106)148(229)179-93-133(212)177-94-134(213)182-126(100-203)159(240)183-113(37-23-55-175-164(169)170)147(228)180-95-135(214)181-114(36-19-21-54-173-136(215)96-197-61-63-198(97-140(221)222)65-67-200(99-142(225)226)68-66-199(64-62-197)98-141(223)224)149(230)184-116(38-24-56-176-165(171)172)150(231)191-123(89-129(167)208)158(239)192-124(90-130(168)209)157(238)190-120(83-103-27-11-7-12-28-103)154(235)185-115(35-18-20-53-166)153(234)196-144(102(3)205)161(242)187-118(49-51-139(219)220)151(232)186-117(48-50-138(217)218)152(233)194-125(163(244)245)87-107-42-46-111(207)47-43-107/h6-9,11-16,27-32,40-47,82,88,101-102,109,113-126,128,143-144,203-207H,1,10,17-26,33-39,48-81,83-87,89-100,166H2,2-5H3,(H2,167,208)(H2,168,209)(H,173,215)(H,174,210)(H,177,212)(H,178,227)(H,179,229)(H,180,228)(H,181,214)(H,182,213)(H,183,240)(H,184,230)(H,185,235)(H,186,232)(H,187,242)(H,188,236)(H,189,237)(H,190,238)(H,191,231)(H,192,239)(H,193,241)(H,194,233)(H,195,211)(H,196,234)(H,217,218)(H,219,220)(H,221,222)(H,223,224)(H,225,226)(H,244,245)(H4,169,170,175)(H4,171,172,176)/t101-,102-,109+,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,128?,143+,144+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2 receptor transfected in HEK cells				J Med Chem 57: 4368-81 (2014) Article DOI: 10.1021/jm5004123 BindingDB Entry DOI: 10.7270/Q2697543
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50039251 ((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...) Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6] |r| Show InChI InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig Maximilians-Universit£t M£nchen Curated by ChEMBL					Assay Description Inhibition of NO711 binding to mouse GAT1 expressed in HEK293 cell membranes assessed as reduction in NO711 binding at incubated for 4 hrs in presenc...				Bioorg Med Chem 27: 2753-2763 (2019) Article DOI: 10.1016/j.bmc.2019.05.001 BindingDB Entry DOI: 10.7270/Q2KD227R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50039251 ((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...) Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6] |r| Show InChI InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-Universit£t M£nchen Curated by ChEMBL					Assay Description Displacement of NO711 from mouse GAT1 expressed in stable HEK293 cell membranes preincubated for 10 mins followed by NO711 addition and measured afte...				Bioorg Med Chem 27: 822-831 (2019) Article DOI: 10.1016/j.bmc.2019.01.024 BindingDB Entry DOI: 10.7270/Q28K7DJR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50039251 ((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...) Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6] |r| Show InChI InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-Universit£t M£nchen Curated by ChEMBL					Assay Description Inhibition of [2H10]NO 711 binding to mouse GAT1 expressed in HEK293 cell membranes by mass spectrometric analysis				Bioorg Med Chem 26: 3668-3687 (2018) Article DOI: 10.1016/j.bmc.2018.05.049 BindingDB Entry DOI: 10.7270/Q20004MB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50039251 ((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...) Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6] |r| Show InChI InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-Universit£t M£nchen Curated by ChEMBL					Assay Description Displacement of NO 711 from mouse GAT1 expressed in HEK293 cell membranes after 40 mins by LC-ESI-MS-MS-based MS binding assay				Bioorg Med Chem 24: 2072-96 (2016) Article DOI: 10.1016/j.bmc.2016.03.038 BindingDB Entry DOI: 10.7270/Q2DF6T3C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50039251 ((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...) Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6] |r| Show InChI InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-Universit£t M£nchen Curated by ChEMBL					Assay Description Binding affinity to mouse GAT1 expressed in HEK293 cells using NO71156 as unlabelled marker by LC-ESI-MS-MS based competitive MS binding assay				Bioorg Med Chem 23: 1284-306 (2015) Article DOI: 10.1016/j.bmc.2015.01.035 BindingDB Entry DOI: 10.7270/Q2QR4ZTK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50039251 ((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...) Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6] |r| Show InChI InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-Universit£t M£nchen Curated by ChEMBL					Assay Description Displacement of NO711 from mouse GAT1 expressed in stable HEK293 cell membranes preincubated for 10 mins followed by NO711 addition and measured afte...				Bioorg Med Chem 27: 822-831 (2019) Article DOI: 10.1016/j.bmc.2019.01.024 BindingDB Entry DOI: 10.7270/Q28K7DJR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50039251 ((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...) Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6] |r| Show InChI InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Binding affinity to mouse GAT1 stably transfected in HEK293 cells by NO-711 binding assay				Bioorg Med Chem 21: 5154-67 (2013) Article DOI: 10.1016/j.bmc.2013.06.038 BindingDB Entry DOI: 10.7270/Q208688J
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50015524 (CHEMBL3265319) Show SMILES COc1cc(CCCSC2CC(=O)N(CCCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCCNC(=O)CN3CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc3ccc(O)cc3)C(O)=O)C2=O)cc(C(=O)NC[C@@H]2CCCN2CC=C)c1OC |r| Show InChI InChI=1S/C169H253N37O53S/c1-6-58-205-59-25-34-113(205)96-182-150(231)116-86-112(92-131(250-4)149(116)251-5)33-26-85-260-132-95-141(220)206(166(132)247)60-22-10-17-39-135(214)178-57-70-253-72-74-255-76-78-257-80-82-259-84-83-258-81-79-256-77-75-254-73-71-252-69-52-136(215)199-147(105(2)208)164(245)197-126(89-109-31-15-9-16-32-109)160(241)193-125(88-108-29-13-8-14-30-108)159(240)192-123(90-110-40-44-114(210)45-41-110)152(233)183-97-137(216)181-98-138(217)186-130(104-207)163(244)187-117(37-23-55-179-168(173)174)151(232)184-99-139(218)185-118(36-19-21-54-177-140(219)100-201-61-63-202(101-144(225)226)65-67-204(103-146(229)230)68-66-203(64-62-201)102-145(227)228)153(234)188-120(38-24-56-180-169(175)176)154(235)195-127(93-133(171)212)162(243)196-128(94-134(172)213)161(242)194-124(87-107-27-11-7-12-28-107)158(239)189-119(35-18-20-53-170)157(238)200-148(106(3)209)165(246)191-122(49-51-143(223)224)155(236)190-121(48-50-142(221)222)156(237)198-129(167(248)249)91-111-42-46-115(211)47-43-111/h6-9,11-16,27-32,40-47,86,92,105-106,113,117-130,132,147-148,207-211H,1,10,17-26,33-39,48-85,87-91,93-104,170H2,2-5H3,(H2,171,212)(H2,172,213)(H,177,219)(H,178,214)(H,181,216)(H,182,231)(H,183,233)(H,184,232)(H,185,218)(H,186,217)(H,187,244)(H,188,234)(H,189,239)(H,190,236)(H,191,246)(H,192,240)(H,193,241)(H,194,242)(H,195,235)(H,196,243)(H,197,245)(H,198,237)(H,199,215)(H,200,238)(H,221,222)(H,223,224)(H,225,226)(H,227,228)(H,229,230)(H,248,249)(H4,173,174,179)(H4,175,176,180)/t105-,106-,113+,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128+,129+,130+,132?,147+,148+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2 receptor transfected in HEK cells				J Med Chem 57: 4368-81 (2014) Article DOI: 10.1021/jm5004123 BindingDB Entry DOI: 10.7270/Q2697543
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50015526 (CHEMBL3265320) Show SMILES COc1cc(CCCSC2CC(=O)N(CCCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCCNC(=O)CN3CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc3ccc(O)cc3)C(O)=O)C2=O)cc(C(=O)NC[C@@H]2CCCN2CC=C)c1OC |r| Show InChI InChI=1S/C173H261N37O55S/c1-6-58-209-59-25-34-117(209)100-186-154(235)120-90-116(96-135(254-4)153(120)255-5)33-26-89-266-136-99-145(224)210(170(136)251)60-22-10-17-39-139(218)182-57-70-257-72-74-259-76-78-261-80-82-263-84-86-265-88-87-264-85-83-262-81-79-260-77-75-258-73-71-256-69-52-140(219)203-151(109(2)212)168(249)201-130(93-113-31-15-9-16-32-113)164(245)197-129(92-112-29-13-8-14-30-112)163(244)196-127(94-114-40-44-118(214)45-41-114)156(237)187-101-141(220)185-102-142(221)190-134(108-211)167(248)191-121(37-23-55-183-172(177)178)155(236)188-103-143(222)189-122(36-19-21-54-181-144(223)104-205-61-63-206(105-148(229)230)65-67-208(107-150(233)234)68-66-207(64-62-205)106-149(231)232)157(238)192-124(38-24-56-184-173(179)180)158(239)199-131(97-137(175)216)166(247)200-132(98-138(176)217)165(246)198-128(91-111-27-11-7-12-28-111)162(243)193-123(35-18-20-53-174)161(242)204-152(110(3)213)169(250)195-126(49-51-147(227)228)159(240)194-125(48-50-146(225)226)160(241)202-133(171(252)253)95-115-42-46-119(215)47-43-115/h6-9,11-16,27-32,40-47,90,96,109-110,117,121-134,136,151-152,211-215H,1,10,17-26,33-39,48-89,91-95,97-108,174H2,2-5H3,(H2,175,216)(H2,176,217)(H,181,223)(H,182,218)(H,185,220)(H,186,235)(H,187,237)(H,188,236)(H,189,222)(H,190,221)(H,191,248)(H,192,238)(H,193,243)(H,194,240)(H,195,250)(H,196,244)(H,197,245)(H,198,246)(H,199,239)(H,200,247)(H,201,249)(H,202,241)(H,203,219)(H,204,242)(H,225,226)(H,227,228)(H,229,230)(H,231,232)(H,233,234)(H,252,253)(H4,177,178,183)(H4,179,180,184)/t109-,110-,117+,121+,122+,123+,124+,125+,126+,127+,128+,129+,130+,131+,132+,133+,134+,136?,151+,152+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2 receptor transfected in HEK cells				J Med Chem 57: 4368-81 (2014) Article DOI: 10.1021/jm5004123 BindingDB Entry DOI: 10.7270/Q2697543
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Homo sapiens (Human))	BDBM50039251 ((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...) Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6] |r| Show InChI InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-Universit£t M£nchen Curated by ChEMBL					Assay Description Binding affinity to human GAT1 expressed in HEK293 cells using NO71156 as unlabelled marker by LC-ESI-MS-MS based competitive MS binding assay				Bioorg Med Chem 23: 1284-306 (2015) Article DOI: 10.1016/j.bmc.2015.01.035 BindingDB Entry DOI: 10.7270/Q2QR4ZTK
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50015530 (CHEMBL3265322) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCCCN1C(=O)CC(SCCCc2cc(OC)c(OC)c(c2)C(=O)NC[C@@H]2CCCN2CC=C)C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O |r| Show InChI InChI=1S/C104H160N24O28S/c1-7-32-126-33-15-19-74(126)61-112-95(141)76-53-71(55-83(151-5)93(76)152-6)18-17-52-157-84-58-88(133)128(102(84)148)34-13-9-10-23-85(130)110-31-45-154-47-49-156-51-50-155-48-46-153-44-28-86(131)116-77(20-11-12-29-109-87(132)62-122-36-38-123(63-89(134)135)40-42-125(65-91(138)139)43-41-124(39-37-122)64-90(136)137)96(142)118-79(56-72-59-107-66-113-72)98(144)115-69(4)94(140)121-92(68(3)8-2)100(146)119-80(54-70-24-26-75(129)27-25-70)101(147)127-35-16-22-82(127)99(145)117-78(21-14-30-111-104(105)106)97(143)120-81(103(149)150)57-73-60-108-67-114-73/h7,24-27,53,55,59-60,66-69,74,77-82,84,92,129H,1,8-23,28-52,54,56-58,61-65H2,2-6H3,(H,107,113)(H,108,114)(H,109,132)(H,110,130)(H,112,141)(H,115,144)(H,116,131)(H,117,145)(H,118,142)(H,119,146)(H,120,143)(H,121,140)(H,134,135)(H,136,137)(H,138,139)(H,149,150)(H4,105,106,111)/t68-,69-,74-,77-,78-,79-,80-,81-,82-,84?,92-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2 receptor transfected in HEK cells				J Med Chem 57: 4368-81 (2014) Article DOI: 10.1021/jm5004123 BindingDB Entry DOI: 10.7270/Q2697543
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50015513 (CHEMBL3265315) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCN1C(=O)CC(SCCCc2cc(OC)c(OC)c(c2)C(=O)NC[C@@H]2CCCN2CC=C)C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O |r| Show InChI InChI=1S/C90H138N18O24S/c1-7-28-106-29-13-17-66(106)57-97-82(114)68-49-63(51-74(123-5)80(68)124-6)16-15-48-133-75-54-78(112)108(88(75)120)30-11-9-10-20-76(110)95-27-33-126-35-37-128-39-41-130-43-45-132-47-46-131-44-42-129-40-38-127-36-34-125-32-25-77(111)101-70(52-64-55-93-58-98-64)84(116)100-61(4)81(113)105-79(60(3)8-2)86(118)103-71(50-62-21-23-67(109)24-22-62)87(119)107-31-14-19-73(107)85(117)102-69(18-12-26-96-90(91)92)83(115)104-72(89(121)122)53-65-56-94-59-99-65/h7,21-24,49,51,55-56,58-61,66,69-73,75,79,109H,1,8-20,25-48,50,52-54,57H2,2-6H3,(H,93,98)(H,94,99)(H,95,110)(H,97,114)(H,100,116)(H,101,111)(H,102,117)(H,103,118)(H,104,115)(H,105,113)(H,121,122)(H4,91,92,96)/t60-,61-,66-,69-,70-,71-,72-,73-,75?,79-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2 receptor transfected in HEK cells				J Med Chem 57: 4368-81 (2014) Article DOI: 10.1021/jm5004123 BindingDB Entry DOI: 10.7270/Q2697543
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50039251 ((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...) Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6] |r| Show InChI InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University M£nchen Curated by ChEMBL					Assay Description Binding affinity to mouse GAT-1 expressed in HEK293 cells after 4 hrs in presence of NO711 by LC-ESI-MS/ms analysis				Bioorg Med Chem 27: 1232-1245 (2019) Article DOI: 10.1016/j.bmc.2019.02.015 BindingDB Entry DOI: 10.7270/Q2P272J5
					More data for this Ligand-Target Pair				3D Structure (crystal)

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