Compile Data Set for Download or QSAR

Found 455 hits with Last Name = 'wade' and Initial = 'd'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50331515 (CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...) Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from serotonin transporter in Sprague-Dawley rat brain after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 8356-64 (2010) Article DOI: 10.1016/j.bmc.2010.09.060 BindingDB Entry DOI: 10.7270/Q2CN744P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50303312 (3-alpha-(4-Dichlorophenyl)methoxy-3-beta-phenyl-no...) Show SMILES Clc1ccc(COC2(CC3CCC(C2)N3)c2ccccc2)cc1Cl |TLB:6:7:14:10.11,THB:15:7:14:10.11| Show InChI InChI=1S/C20H21Cl2NO/c21-18-9-6-14(10-19(18)22)13-24-20(15-4-2-1-3-5-15)11-16-7-8-17(12-20)23-16/h1-6,9-10,16-17,23H,7-8,11-13H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in rat brain				Bioorg Med Chem Lett 19: 6865-8 (2009) Article DOI: 10.1016/j.bmcl.2009.10.087 BindingDB Entry DOI: 10.7270/Q24T6K9G
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50049757 (()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...) Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description In vitro binding affinity by inhibiting [3H]cytisine binding in rat brain tissue at Nicotinic acetylcholine receptor alpha4-beta2				J Med Chem 45: 3041-7 (2002) Article DOI: 10.1021/jm0103561 BindingDB Entry DOI: 10.7270/Q2GQ71H0
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50303314 (3-alpha-(4-Chlorophenyl)methoxy-3-beta-(4-chloroph...) Show SMILES Clc1ccc(COC2(CC3CCC(C2)N3)c2ccc(Cl)cc2)cc1 |TLB:6:7:14:10.11,THB:15:7:14:10.11| Show InChI InChI=1S/C20H21Cl2NO/c21-16-5-1-14(2-6-16)13-24-20(15-3-7-17(22)8-4-15)11-18-9-10-19(12-20)23-18/h1-8,18-19,23H,9-13H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in rat brain				Bioorg Med Chem Lett 19: 6865-8 (2009) Article DOI: 10.1016/j.bmcl.2009.10.087 BindingDB Entry DOI: 10.7270/Q24T6K9G
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50049757 (()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...) Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description in vitro binding affinity by inhibiting [3H]cytisine binding in rat brain tissue at Nicotinic acetylcholine receptor alpha4-beta2				J Med Chem 45: 3041-7 (2002) Article DOI: 10.1021/jm0103561 BindingDB Entry DOI: 10.7270/Q2GQ71H0
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50143320 ((+)-epibatidine | (-)-1-epidatidine | (1S,2S,4R)-2...) Show SMILES Clc1ccc(cn1)[C@@H]1C[C@H]2CC[C@@H]1N2 |THB:4:7:13:11.10| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description in vitro binding affinity by inhibiting [3H]cytisine binding in rat brain tissue at Nicotinic acetylcholine receptor alpha4-beta2				J Med Chem 45: 3041-7 (2002) Article DOI: 10.1021/jm0103561 BindingDB Entry DOI: 10.7270/Q2GQ71H0
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50303309 (3-(3,4-dichlorophenyl)-2-nortropene | CHEMBL578130) Show SMILES Clc1ccc(cc1Cl)C1=CC2CCC(C1)N2 |t:9,TLB:4:8:15:12.11| Show InChI InChI=1S/C13H13Cl2N/c14-12-4-1-8(7-13(12)15)9-5-10-2-3-11(6-9)16-10/h1,4-5,7,10-11,16H,2-3,6H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in rat brain				Bioorg Med Chem Lett 19: 6865-8 (2009) Article DOI: 10.1016/j.bmcl.2009.10.087 BindingDB Entry DOI: 10.7270/Q24T6K9G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50331534 (4-Methoxylbenzyl 4-(4-iodophenyl)piperidine-4-carb...) Show SMILES COc1ccc(COC(=O)C2(CCNCC2)c2ccc(I)cc2)cc1 Show InChI InChI=1S/C20H22INO3/c1-24-18-8-2-15(3-9-18)14-25-19(23)20(10-12-22-13-11-20)16-4-6-17(21)7-5-16/h2-9,22H,10-14H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from serotonin transporter in Sprague-Dawley rat brain after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 8356-64 (2010) Article DOI: 10.1016/j.bmc.2010.09.060 BindingDB Entry DOI: 10.7270/Q2CN744P
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50331522 (4-Nitrobenzyl 4-(3,4-dichlorophenyl)-1-methylpiper...) Show SMILES CN1CCC(CC1)(C(=O)OCc1ccc(cc1)[N+]([O-])=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C20H20Cl2N2O4/c1-23-10-8-20(9-11-23,15-4-7-17(21)18(22)12-15)19(25)28-13-14-2-5-16(6-3-14)24(26)27/h2-7,12H,8-11,13H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from serotonin transporter in Sprague-Dawley rat brain after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 8356-64 (2010) Article DOI: 10.1016/j.bmc.2010.09.060 BindingDB Entry DOI: 10.7270/Q2CN744P
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50492439 (CHEMBL2402550) Show SMILES Cl.CN1CC(C1)(OCc1ccc(Cl)c(Cl)c1)c1ccccc1 Show InChI InChI=1S/C17H17Cl2NO/c1-20-11-17(12-20,14-5-3-2-4-6-14)21-10-13-7-8-15(18)16(19)9-13/h2-9H,10-12H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]Citalopram from SERT in Sprague-Dawley rat brain homogenate after 60 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 4404-7 (2013) Article DOI: 10.1016/j.bmcl.2013.05.071 BindingDB Entry DOI: 10.7270/Q2DN47ZV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50492444 (CHEMBL2402556) Show SMILES Cl.CN1CC(C1)(OCc1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H15Cl4NO/c1-22-9-17(10-22,12-3-5-14(19)16(21)7-12)23-8-11-2-4-13(18)15(20)6-11/h2-7H,8-10H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]Citalopram from SERT in Sprague-Dawley rat brain homogenate after 60 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 4404-7 (2013) Article DOI: 10.1016/j.bmcl.2013.05.071 BindingDB Entry DOI: 10.7270/Q2DN47ZV
					More data for this Ligand-Target Pair
Relaxin-3 receptor 2 (Homo sapiens (Human))	BDBM50558038 (CHEMBL4798311) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)CC |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of europium-labeled Eu(A)-mINSL5 from human RXFP4 expressed in CHO-K1 cells				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01786 BindingDB Entry DOI: 10.7270/Q2PC3624
					More data for this Ligand-Target Pair
Relaxin-3 receptor 2 (Homo sapiens (Human))	BDBM50558038 (CHEMBL4798311) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)CC |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of europium-labeled Eu(A)-mINSL5 from human RXFP4 expressed in CHO-K1 cells				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01786 BindingDB Entry DOI: 10.7270/Q2PC3624
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50331521 (4-Methoxylbenzyl 4-(3,4-dichlorophenyl)-1-methylpi...) Show SMILES COc1ccc(COC(=O)C2(CCN(C)CC2)c2ccc(Cl)c(Cl)c2)cc1 Show InChI InChI=1S/C21H23Cl2NO3/c1-24-11-9-21(10-12-24,16-5-8-18(22)19(23)13-16)20(25)27-14-15-3-6-17(26-2)7-4-15/h3-8,13H,9-12,14H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from serotonin transporter in Sprague-Dawley rat brain after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 8356-64 (2010) Article DOI: 10.1016/j.bmc.2010.09.060 BindingDB Entry DOI: 10.7270/Q2CN744P
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50303308 (3-(4-Trifluoromethylphenyl)-2-nortropene | CHEMBL5...) Show SMILES FC(F)(F)c1ccc(cc1)C1=CC2CCC(C1)N2 |t:11,TLB:7:10:17:14.13| Show InChI InChI=1S/C14H14F3N/c15-14(16,17)11-3-1-9(2-4-11)10-7-12-5-6-13(8-10)18-12/h1-4,7,12-13,18H,5-6,8H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in rat brain				Bioorg Med Chem Lett 19: 6865-8 (2009) Article DOI: 10.1016/j.bmcl.2009.10.087 BindingDB Entry DOI: 10.7270/Q24T6K9G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM30130 (CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...) Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from serotonin transporter in Sprague-Dawley rat brain after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 8356-64 (2010) Article DOI: 10.1016/j.bmc.2010.09.060 BindingDB Entry DOI: 10.7270/Q2CN744P
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50331533 (Benzyl 4-(4-phenyl-phenyl)piperidine-4-carboxylate...) Show SMILES O=C(OCc1ccccc1)C1(CCNCC1)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C25H25NO2/c27-24(28-19-20-7-3-1-4-8-20)25(15-17-26-18-16-25)23-13-11-22(12-14-23)21-9-5-2-6-10-21/h1-14,26H,15-19H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from serotonin transporter in Sprague-Dawley rat brain after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 8356-64 (2010) Article DOI: 10.1016/j.bmc.2010.09.060 BindingDB Entry DOI: 10.7270/Q2CN744P
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50331538 (4-Nitrobenzyl 4-(naphthalen-2-yl)piperidine-4-carb...) Show SMILES [O-][N+](=O)c1ccc(COC(=O)C2(CCNCC2)c2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C23H22N2O4/c26-22(29-16-17-5-9-21(10-6-17)25(27)28)23(11-13-24-14-12-23)20-8-7-18-3-1-2-4-19(18)15-20/h1-10,15,24H,11-14,16H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from serotonin transporter in Sprague-Dawley rat brain after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 8356-64 (2010) Article DOI: 10.1016/j.bmc.2010.09.060 BindingDB Entry DOI: 10.7270/Q2CN744P
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50331518 (CHEMBL1288490 | Ethyl 4-(4-iodophenyl)-piperidine-...) Show SMILES CCOC(=O)C1(CCNCC1)c1ccc(I)cc1 Show InChI InChI=1S/C14H18INO2/c1-2-18-13(17)14(7-9-16-10-8-14)11-3-5-12(15)6-4-11/h3-6,16H,2,7-10H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from serotonin transporter in Sprague-Dawley rat brain after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 8356-64 (2010) Article DOI: 10.1016/j.bmc.2010.09.060 BindingDB Entry DOI: 10.7270/Q2CN744P
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50303307 (3-(4-Chlorophenyl)-2-nortropene | CHEMBL576508) Show SMILES Clc1ccc(cc1)C1=CC2CCC(C1)N2 |t:8,TLB:4:7:14:11.10| Show InChI InChI=1S/C13H14ClN/c14-11-3-1-9(2-4-11)10-7-12-5-6-13(8-10)15-12/h1-4,7,12-13,15H,5-6,8H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in rat brain				Bioorg Med Chem Lett 19: 6865-8 (2009) Article DOI: 10.1016/j.bmcl.2009.10.087 BindingDB Entry DOI: 10.7270/Q24T6K9G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50331537 (4-Methoxylbenzyl 4-(naphthalen-2-yl)piperidine-4-c...) Show SMILES COc1ccc(COC(=O)C2(CCNCC2)c2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C24H25NO3/c1-27-22-10-6-18(7-11-22)17-28-23(26)24(12-14-25-15-13-24)21-9-8-19-4-2-3-5-20(19)16-21/h2-11,16,25H,12-15,17H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from serotonin transporter in Sprague-Dawley rat brain after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 8356-64 (2010) Article DOI: 10.1016/j.bmc.2010.09.060 BindingDB Entry DOI: 10.7270/Q2CN744P
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50492447 (CHEMBL2402546) Show SMILES Cl.Clc1ccc(COC2(CNC2)c2ccc(Cl)c(Cl)c2)cc1 Show InChI InChI=1S/C16H14Cl3NO/c17-13-4-1-11(2-5-13)8-21-16(9-20-10-16)12-3-6-14(18)15(19)7-12/h1-7,20H,8-10H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]Citalopram from SERT in Sprague-Dawley rat brain homogenate after 60 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 4404-7 (2013) Article DOI: 10.1016/j.bmcl.2013.05.071 BindingDB Entry DOI: 10.7270/Q2DN47ZV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50492445 (CHEMBL2402553) Show SMILES Cl.CN1CC(C1)(OCc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 Show InChI InChI=1S/C17H16Cl3NO/c1-21-10-17(11-21,13-3-5-14(18)6-4-13)22-9-12-2-7-15(19)16(20)8-12/h2-8H,9-11H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]Citalopram from SERT in Sprague-Dawley rat brain homogenate after 60 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 4404-7 (2013) Article DOI: 10.1016/j.bmcl.2013.05.071 BindingDB Entry DOI: 10.7270/Q2DN47ZV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50331517 (CHEMBL1290741 | Ethyl 4-biphenyl-4-yl-piperidine-4...) Show SMILES CCOC(=O)C1(CCNCC1)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C20H23NO2/c1-2-23-19(22)20(12-14-21-15-13-20)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,21H,2,12-15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from serotonin transporter in Sprague-Dawley rat brain after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 8356-64 (2010) Article DOI: 10.1016/j.bmc.2010.09.060 BindingDB Entry DOI: 10.7270/Q2CN744P
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50492448 (CHEMBL2402543) Show SMILES Cl.Clc1ccc(COC2(CNC2)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C16H15Cl2NO/c17-14-5-1-12(2-6-14)9-20-16(10-19-11-16)13-3-7-15(18)8-4-13/h1-8,19H,9-11H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]Citalopram from SERT in Sprague-Dawley rat brain homogenate after 60 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 4404-7 (2013) Article DOI: 10.1016/j.bmcl.2013.05.071 BindingDB Entry DOI: 10.7270/Q2DN47ZV
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50124759 (3-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethylidene}-8...) Show SMILES Fc1ccc(cc1)-[#6](-[#8]-[#6]\[#6]=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-[#6]-c1ccccc1)-c1ccc(F)cc1 |TLB:10:11:18:14.15| Show InChI InChI=1S/C31H33F2NO/c32-27-12-8-25(9-13-27)31(26-10-14-28(33)15-11-26)35-20-18-24-21-29-16-17-30(22-24)34(29)19-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,18,29-31H,4,7,16-17,19-22H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Binding affinity at dopamine transporter from rat caudate-putamen tissue by [3H]-WIN- 35428 displacement.				Bioorg Med Chem Lett 13: 629-32 (2003) BindingDB Entry DOI: 10.7270/Q20001G9
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50359603 (CHEMBL1927881) Show SMILES Fc1ccc(cc1)C(OC\C=C1\C[C@@H]2CC[C@H](C1)N2Cc1ccc(Cl)cc1)c1ccc(F)cc1 |r,THB:19:18:12.11.17:15.14| Show InChI InChI=1S/C29H28ClF2NO/c30-24-7-1-20(2-8-24)19-33-27-13-14-28(33)18-21(17-27)15-16-34-29(22-3-9-25(31)10-4-22)23-5-11-26(32)12-6-23/h1-12,15,27-29H,13-14,16-19H2/b21-15-/t27-,28+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat brain homogenates after 1 hr by scintillation counting				Bioorg Med Chem 19: 7551-8 (2011) Article DOI: 10.1016/j.bmc.2011.10.028 BindingDB Entry DOI: 10.7270/Q2XP75CJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50331520 (Benzyl 4-(3,4-dichlorophenyl)-1-methylpiperidine-4...) Show SMILES CN1CCC(CC1)(C(=O)OCc1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C20H21Cl2NO2/c1-23-11-9-20(10-12-23,16-7-8-17(21)18(22)13-16)19(24)25-14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from serotonin transporter in Sprague-Dawley rat brain after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 8356-64 (2010) Article DOI: 10.1016/j.bmc.2010.09.060 BindingDB Entry DOI: 10.7270/Q2CN744P
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50492446 (CHEMBL2402549) Show SMILES Cl.CN1CC(C1)(OCc1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C17H18ClNO/c1-19-12-17(13-19,15-5-3-2-4-6-15)20-11-14-7-9-16(18)10-8-14/h2-10H,11-13H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]Citalopram from SERT in Sprague-Dawley rat brain homogenate after 60 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 4404-7 (2013) Article DOI: 10.1016/j.bmcl.2013.05.071 BindingDB Entry DOI: 10.7270/Q2DN47ZV
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50359599 (CHEMBL1927877) Show SMILES Fc1ccc(cc1)C(OC\C=C1\C[C@@H]2CC[C@H](C1)N2CC1CC1)c1ccc(F)cc1 |r,THB:19:18:12.11.17:15.14| Show InChI InChI=1S/C26H29F2NO/c27-22-7-3-20(4-8-22)26(21-5-9-23(28)10-6-21)30-14-13-19-15-24-11-12-25(16-19)29(24)17-18-1-2-18/h3-10,13,18,24-26H,1-2,11-12,14-17H2/b19-13-/t24-,25+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat brain homogenates after 1 hr by scintillation counting				Bioorg Med Chem 19: 7551-8 (2011) Article DOI: 10.1016/j.bmc.2011.10.028 BindingDB Entry DOI: 10.7270/Q2XP75CJ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50124752 (3-Benzhydryloxymethylene-8-(3-phenyl-propyl)-8-aza...) Show SMILES [#6](-[#6]-[#7]-1-[#6]-2-[#6]-[#6]-[#6]-1-[#6]\[#6](-[#6]-2)=[#6]/[#8]-[#6](-c1ccccc1)-c1ccccc1)-[#6]-c1ccccc1 |THB:10:8:2:4.5| Show InChI InChI=1S/C30H33NO/c1-4-11-24(12-5-1)13-10-20-31-28-18-19-29(31)22-25(21-28)23-32-30(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,23,28-30H,10,13,18-22H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Binding affinity at dopamine transporter from rat caudate-putamen tissue by [3H]-WIN- 35428 displacement.				Bioorg Med Chem Lett 13: 629-32 (2003) BindingDB Entry DOI: 10.7270/Q20001G9
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50492453 (CHEMBL2402547) Show SMILES Cl.Clc1ccc(COC2(CNC2)c2ccc(Cl)c(Cl)c2)cc1Cl Show InChI InChI=1S/C16H13Cl4NO/c17-12-3-1-10(5-14(12)19)7-22-16(8-21-9-16)11-2-4-13(18)15(20)6-11/h1-6,21H,7-9H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]Citalopram from SERT in Sprague-Dawley rat brain homogenate after 60 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 4404-7 (2013) Article DOI: 10.1016/j.bmcl.2013.05.071 BindingDB Entry DOI: 10.7270/Q2DN47ZV
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50143282 ((-)-cytisine | (1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-m...) Show SMILES O=c1cccc2[C@H]3CNC[C@H](C3)Cn12 Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8?,9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description in vitro binding affinity by inhibiting [3H]cytisine binding in rat brain tissue at Nicotinic acetylcholine receptor alpha4-beta2				J Med Chem 45: 3041-7 (2002) Article DOI: 10.1021/jm0103561 BindingDB Entry DOI: 10.7270/Q2GQ71H0
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50331523 (3,4-Dichlorobenzyl 4-(3,4-dichlorophenyl)-1-methyl...) Show SMILES CN1CCC(CC1)(C(=O)OCc1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C20H19Cl4NO2/c1-25-8-6-20(7-9-25,14-3-5-16(22)18(24)11-14)19(26)27-12-13-2-4-15(21)17(23)10-13/h2-5,10-11H,6-9,12H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from serotonin transporter in Sprague-Dawley rat brain after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 8356-64 (2010) Article DOI: 10.1016/j.bmc.2010.09.060 BindingDB Entry DOI: 10.7270/Q2CN744P
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50256014 (CHEMBL480591 | propyl 5-(4-chlorophenyl)-1-(2,4-di...) Show SMILES CCCOC(=O)c1nnn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C18H14Cl3N3O2/c1-2-9-26-18(25)16-17(11-3-5-12(19)6-4-11)24(23-22-16)15-8-7-13(20)10-14(15)21/h3-8,10H,2,9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]SR141716 from CB1 receptor in rat cerebellum homogenate				Bioorg Med Chem Lett 19: 891-3 (2009) Article DOI: 10.1016/j.bmcl.2008.11.110 BindingDB Entry DOI: 10.7270/Q2NS0TR7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50303318 (3-alpha-(4-Dichlorophenyl)methoxy-3-beta-(3,4-dich...) Show SMILES Clc1ccc(COC2(CC3CCC(C2)N3)c2ccc(Cl)c(Cl)c2)cc1Cl |TLB:6:7:14:10.11,THB:15:7:14:10.11| Show InChI InChI=1S/C20H19Cl4NO/c21-16-5-1-12(7-18(16)23)11-26-20(9-14-3-4-15(10-20)25-14)13-2-6-17(22)19(24)8-13/h1-2,5-8,14-15,25H,3-4,9-11H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in rat brain				Bioorg Med Chem Lett 19: 6865-8 (2009) Article DOI: 10.1016/j.bmcl.2009.10.087 BindingDB Entry DOI: 10.7270/Q24T6K9G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50492436 (CHEMBL2402555) Show SMILES Cl.CN1CC(C1)(OCc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H16Cl3NO/c1-21-10-17(11-21,13-4-7-15(19)16(20)8-13)22-9-12-2-5-14(18)6-3-12/h2-8H,9-11H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]Citalopram from SERT in Sprague-Dawley rat brain homogenate after 60 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 4404-7 (2013) Article DOI: 10.1016/j.bmcl.2013.05.071 BindingDB Entry DOI: 10.7270/Q2DN47ZV
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50359601 (CHEMBL1927879) Show SMILES Fc1ccc(CN2[C@H]3CC[C@@H]2C\C(C3)=C/COC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 |r,THB:5:6:13.12.11:9.8| Show InChI InChI=1S/C29H28F3NO/c30-24-7-1-20(2-8-24)19-33-27-13-14-28(33)18-21(17-27)15-16-34-29(22-3-9-25(31)10-4-22)23-5-11-26(32)12-6-23/h1-12,15,27-29H,13-14,16-19H2/b21-15-/t27-,28+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat brain homogenates after 1 hr by scintillation counting				Bioorg Med Chem 19: 7551-8 (2011) Article DOI: 10.1016/j.bmc.2011.10.028 BindingDB Entry DOI: 10.7270/Q2XP75CJ
					More data for this Ligand-Target Pair
Relaxin-3 receptor 2 (Homo sapiens (Human))	BDBM50558042 (CHEMBL4760798) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(C)C)[C@@H](C)CC |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of europium-labeled Eu(A)-mINSL5 from human RXFP4 expressed in CHO-K1 cells				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01786 BindingDB Entry DOI: 10.7270/Q2PC3624
					More data for this Ligand-Target Pair
Relaxin-3 receptor 2 (Homo sapiens (Human))	BDBM50558042 (CHEMBL4760798) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(C)C)[C@@H](C)CC |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of europium-labeled Eu(A)-mINSL5 from human RXFP4 expressed in CHO-K1 cells				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01786 BindingDB Entry DOI: 10.7270/Q2PC3624
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50124757 (8-Benzyl-3-{2-[bis-(4-fluoro-phenyl)-methoxy]-ethy...) Show SMILES Fc1ccc(cc1)C(OCCC1CC2CCC(C1)N2Cc1ccccc1)c1ccc(F)cc1 |TLB:10:11:18:14.15| Show InChI InChI=1S/C29H31F2NO/c30-25-10-6-23(7-11-25)29(24-8-12-26(31)13-9-24)33-17-16-22-18-27-14-15-28(19-22)32(27)20-21-4-2-1-3-5-21/h1-13,22,27-29H,14-20H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Binding affinity at dopamine transporter from rat caudate-putamen tissue by [3H]-WIN- 35428 displacement.				Bioorg Med Chem Lett 13: 629-32 (2003) BindingDB Entry DOI: 10.7270/Q20001G9
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50331536 (3,4-Dichlorobenzyl 4-(4-iodophenyl)piperidine-4-ca...) Show SMILES Clc1ccc(COC(=O)C2(CCNCC2)c2ccc(I)cc2)cc1Cl Show InChI InChI=1S/C19H18Cl2INO2/c20-16-6-1-13(11-17(16)21)12-25-18(24)19(7-9-23-10-8-19)14-2-4-15(22)5-3-14/h1-6,11,23H,7-10,12H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from serotonin transporter in Sprague-Dawley rat brain after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 8356-64 (2010) Article DOI: 10.1016/j.bmc.2010.09.060 BindingDB Entry DOI: 10.7270/Q2CN744P
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50331535 (4-Nitrobenzyl 4-(4-iodophenyl)piperidine-4-carboxy...) Show SMILES [O-][N+](=O)c1ccc(COC(=O)C2(CCNCC2)c2ccc(I)cc2)cc1 Show InChI InChI=1S/C19H19IN2O4/c20-16-5-3-15(4-6-16)19(9-11-21-12-10-19)18(23)26-13-14-1-7-17(8-2-14)22(24)25/h1-8,21H,9-13H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from serotonin transporter in Sprague-Dawley rat brain after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 8356-64 (2010) Article DOI: 10.1016/j.bmc.2010.09.060 BindingDB Entry DOI: 10.7270/Q2CN744P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50359605 (CHEMBL1927883) Show SMILES Cc1ccc(CN2[C@H]3CC[C@@H]2C\C(C3)=C/COC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 |r,THB:5:6:13.12.11:9.8| Show InChI InChI=1S/C30H31F2NO/c1-21-2-4-22(5-3-21)20-33-28-14-15-29(33)19-23(18-28)16-17-34-30(24-6-10-26(31)11-7-24)25-8-12-27(32)13-9-25/h2-13,16,28-30H,14-15,17-20H2,1H3/b23-16-/t28-,29+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat brain homogenates after 1 hr by scintillation counting				Bioorg Med Chem 19: 7551-8 (2011) Article DOI: 10.1016/j.bmc.2011.10.028 BindingDB Entry DOI: 10.7270/Q2XP75CJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50303311 (3-alpha-(4-Chlorophenyl)methoxy-3-beta-phenyl-nort...) Show SMILES Clc1ccc(COC2(CC3CCC(C2)N3)c2ccccc2)cc1 |TLB:6:7:14:10.11,THB:15:7:14:10.11| Show InChI InChI=1S/C20H22ClNO/c21-17-8-6-15(7-9-17)14-23-20(16-4-2-1-3-5-16)12-18-10-11-19(13-20)22-18/h1-9,18-19,22H,10-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in rat brain				Bioorg Med Chem Lett 19: 6865-8 (2009) Article DOI: 10.1016/j.bmcl.2009.10.087 BindingDB Entry DOI: 10.7270/Q24T6K9G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50331530 (4-Nitrobenzyl 4-(3,4-dichlorophenyl)piperidine-4-c...) Show SMILES [O-][N+](=O)c1ccc(COC(=O)C2(CCNCC2)c2ccc(Cl)c(Cl)c2)cc1 Show InChI InChI=1S/C19H18Cl2N2O4/c20-16-6-3-14(11-17(16)21)19(7-9-22-10-8-19)18(24)27-12-13-1-4-15(5-2-13)23(25)26/h1-6,11,22H,7-10,12H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from serotonin transporter in Sprague-Dawley rat brain after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 8356-64 (2010) Article DOI: 10.1016/j.bmc.2010.09.060 BindingDB Entry DOI: 10.7270/Q2CN744P
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50331524 (4-Bromobenzyl 4-(3,4-dichlorophenyl)-1-methylpiper...) Show SMILES CN1CCC(CC1)(C(=O)OCc1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C20H20BrCl2NO2/c1-24-10-8-20(9-11-24,15-4-7-17(22)18(23)12-15)19(25)26-13-14-2-5-16(21)6-3-14/h2-7,12H,8-11,13H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from serotonin transporter in Sprague-Dawley rat brain after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 8356-64 (2010) Article DOI: 10.1016/j.bmc.2010.09.060 BindingDB Entry DOI: 10.7270/Q2CN744P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50359600 (CHEMBL1927878) Show SMILES Fc1ccc(CN2[C@H]3CC[C@@H]2C\C(C3)=C/COC(c2ccccc2)c2ccccc2)cc1 |r,THB:5:6:13.12.11:9.8| Show InChI InChI=1S/C29H30FNO/c30-26-13-11-22(12-14-26)21-31-27-15-16-28(31)20-23(19-27)17-18-32-29(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,17,27-29H,15-16,18-21H2/b23-17-/t27-,28+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat brain homogenates after 1 hr by scintillation counting				Bioorg Med Chem 19: 7551-8 (2011) Article DOI: 10.1016/j.bmc.2011.10.028 BindingDB Entry DOI: 10.7270/Q2XP75CJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50083534 (1-Methyl-4-naphthalen-2-yl-piperidine-4-carboxylic...) Show SMILES CCOC(=O)C1(CCN(C)CC1)c1ccc2ccccc2c1 Show InChI InChI=1S/C19H23NO2/c1-3-22-18(21)19(10-12-20(2)13-11-19)17-9-8-15-6-4-5-7-16(15)14-17/h4-9,14H,3,10-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from serotonin transporter in Sprague-Dawley rat brain after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 8356-64 (2010) Article DOI: 10.1016/j.bmc.2010.09.060 BindingDB Entry DOI: 10.7270/Q2CN744P
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50083534 (1-Methyl-4-naphthalen-2-yl-piperidine-4-carboxylic...) Show SMILES CCOC(=O)C1(CCN(C)CC1)c1ccc2ccccc2c1 Show InChI InChI=1S/C19H23NO2/c1-3-22-18(21)19(10-12-20(2)13-11-19)17-9-8-15-6-4-5-7-16(15)14-17/h4-9,14H,3,10-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Inhibition of [3H]paroxetine binding to rat serotonin transporter				J Med Chem 48: 1336-43 (2005) Article DOI: 10.1021/jm0401614 BindingDB Entry DOI: 10.7270/Q2PZ59KQ
					More data for this Ligand-Target Pair

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