Compile Data Set for Download or QSAR

Found 187 hits with Last Name = 'penthala' and Initial = 'nr'   

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
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21281 ((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...) Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Binding affinity to CB2 receptor (unknown origin)				Bioorg Med Chem Lett 23: 2019-21 (2013) Article DOI: 10.1016/j.bmcl.2013.02.025 BindingDB Entry DOI: 10.7270/Q2WS8VM2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50272598 (6-Methoxy-5-(2-morpholin-4-yl-ethyl)-2-(1,3,3-trim...) Show SMILES COc1cccc2c1n(CCN1CCOCC1)c1ccn([C@H]3[C@@]4(C)CC[C@H](C4)C3(C)C)c(=O)c21 |r| Show InChI InChI=1S/C28H37N3O3/c1-27(2)19-8-10-28(3,18-19)26(27)31-11-9-21-23(25(31)32)20-6-5-7-22(33-4)24(20)30(21)13-12-29-14-16-34-17-15-29/h5-7,9,11,19,26H,8,10,12-18H2,1-4H3/t19-,26-,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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 Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Binding affinity to CB2 receptor (unknown origin)				Bioorg Med Chem Lett 23: 2019-21 (2013) Article DOI: 10.1016/j.bmcl.2013.02.025 BindingDB Entry DOI: 10.7270/Q2WS8VM2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50432198 (CHEMBL240913) Show SMILES Fc1ccc(Cn2cc(C=C3N4CCC(CC4)C3=O)c3ccccc23)cc1 |w:9.8,TLB:9:10:12.13:16.15,THB:18:17:12.13:16.15,(2.73,-28.57,;1.19,-28.57,;.42,-29.91,;-1.12,-29.91,;-1.88,-28.57,;-3.42,-28.57,;-4.19,-27.24,;-3.28,-25.98,;-4.19,-24.73,;-3.43,-23.39,;-1.89,-23.38,;-.56,-24.38,;-.42,-25.88,;.65,-24.95,;.5,-23.47,;1.96,-22.72,;1.22,-23.66,;-.79,-22.52,;-.81,-20.98,;-5.67,-25.21,;-7,-24.44,;-8.33,-25.22,;-8.33,-26.76,;-7,-27.53,;-5.67,-26.76,;-1.12,-27.24,;.41,-27.23,)| Show InChI InChI=1S/C23H21FN2O/c24-19-7-5-16(6-8-19)14-26-15-18(20-3-1-2-4-21(20)26)13-22-23(27)17-9-11-25(22)12-10-17/h1-8,13,15,17H,9-12,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CP 55940 from human CB2 receptor expressed in CHO cells after 90 mins by liquid scintillation counting				Bioorg Med Chem Lett 23: 2019-21 (2013) Article DOI: 10.1016/j.bmcl.2013.02.025 BindingDB Entry DOI: 10.7270/Q2WS8VM2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM21281 ((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...) Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Binding affinity to CB1 receptor (unknown origin)				Bioorg Med Chem Lett 23: 2019-21 (2013) Article DOI: 10.1016/j.bmcl.2013.02.025 BindingDB Entry DOI: 10.7270/Q2WS8VM2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50432193 (CHEMBL2346979) Show SMILES COC(=O)c1ccc2c(C=C3N4CCC(CC4)C3=O)cn(Cc3ccccc3)c2c1 |w:9.8,(7.91,-37.06,;9.24,-36.29,;10.58,-37.05,;10.57,-38.6,;11.91,-36.28,;11.91,-34.74,;13.24,-33.97,;14.58,-34.73,;16.04,-34.26,;16.52,-32.79,;18.02,-32.47,;19.05,-33.63,;20.55,-33.31,;21.04,-31.85,;20.01,-30.7,;19.95,-31.93,;19.13,-32,;18.49,-31.02,;17.47,-29.87,;16.95,-35.5,;16.04,-36.75,;16.77,-38.11,;15.95,-39.42,;14.41,-39.36,;13.6,-40.66,;14.32,-42.02,;15.86,-42.07,;16.67,-40.77,;14.58,-36.28,;13.24,-37.06,)| Show InChI InChI=1S/C25H24N2O3/c1-30-25(29)19-7-8-21-20(14-23-24(28)18-9-11-26(23)12-10-18)16-27(22(21)13-19)15-17-5-3-2-4-6-17/h2-8,13-14,16,18H,9-12,15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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 Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CP 55940 from human CB2 receptor expressed in CHO cells after 90 mins by liquid scintillation counting				Bioorg Med Chem Lett 23: 2019-21 (2013) Article DOI: 10.1016/j.bmcl.2013.02.025 BindingDB Entry DOI: 10.7270/Q2WS8VM2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50432198 (CHEMBL240913) Show SMILES Fc1ccc(Cn2cc(C=C3N4CCC(CC4)C3=O)c3ccccc23)cc1 |w:9.8,TLB:9:10:12.13:16.15,THB:18:17:12.13:16.15,(2.73,-28.57,;1.19,-28.57,;.42,-29.91,;-1.12,-29.91,;-1.88,-28.57,;-3.42,-28.57,;-4.19,-27.24,;-3.28,-25.98,;-4.19,-24.73,;-3.43,-23.39,;-1.89,-23.38,;-.56,-24.38,;-.42,-25.88,;.65,-24.95,;.5,-23.47,;1.96,-22.72,;1.22,-23.66,;-.79,-22.52,;-.81,-20.98,;-5.67,-25.21,;-7,-24.44,;-8.33,-25.22,;-8.33,-26.76,;-7,-27.53,;-5.67,-26.76,;-1.12,-27.24,;.41,-27.23,)| Show InChI InChI=1S/C23H21FN2O/c24-19-7-5-16(6-8-19)14-26-15-18(20-3-1-2-4-21(20)26)13-22-23(27)17-9-11-25(22)12-10-17/h1-8,13,15,17H,9-12,14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CP 55940 from CB1 receptor in mouse whole brain membrane homogenates after 90 mins by liquid scintillation counting				Bioorg Med Chem Lett 23: 2019-21 (2013) Article DOI: 10.1016/j.bmcl.2013.02.025 BindingDB Entry DOI: 10.7270/Q2WS8VM2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50432199 (CHEMBL238082) Show SMILES O=C1C2CCN(CC2)C1=Cc1cn(Cc2ccccc2)c2ccccc12 |w:9.11,TLB:9:8:4.3:6.7,THB:0:1:4.3:6.7,(2.62,3.15,;2.64,1.61,;3.93,.66,;4.08,-.81,;3.01,-1.74,;2.87,-.24,;4.65,.48,;5.39,1.42,;1.54,.76,;,.75,;-.76,-.59,;.15,-1.85,;-.76,-3.1,;.01,-4.44,;1.55,-4.44,;2.31,-5.77,;3.85,-5.77,;4.62,-4.44,;3.84,-3.1,;2.31,-3.11,;-2.24,-2.63,;-3.57,-3.4,;-4.9,-2.63,;-4.9,-1.08,;-3.57,-.31,;-2.24,-1.07,)| Show InChI InChI=1S/C23H22N2O/c26-23-18-10-12-24(13-11-18)22(23)14-19-16-25(15-17-6-2-1-3-7-17)21-9-5-4-8-20(19)21/h1-9,14,16,18H,10-13,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CP 55940 from human CB2 receptor expressed in CHO cells after 90 mins by liquid scintillation counting				Bioorg Med Chem Lett 23: 2019-21 (2013) Article DOI: 10.1016/j.bmcl.2013.02.025 BindingDB Entry DOI: 10.7270/Q2WS8VM2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50272598 (6-Methoxy-5-(2-morpholin-4-yl-ethyl)-2-(1,3,3-trim...) Show SMILES COc1cccc2c1n(CCN1CCOCC1)c1ccn([C@H]3[C@@]4(C)CC[C@H](C4)C3(C)C)c(=O)c21 |r| Show InChI InChI=1S/C28H37N3O3/c1-27(2)19-8-10-28(3,18-19)26(27)31-11-9-21-23(25(31)32)20-6-5-7-22(33-4)24(20)30(21)13-12-29-14-16-34-17-15-29/h5-7,9,11,19,26H,8,10,12-18H2,1-4H3/t19-,26-,28+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Binding affinity to CB1 receptor (unknown origin)				Bioorg Med Chem Lett 23: 2019-21 (2013) Article DOI: 10.1016/j.bmcl.2013.02.025 BindingDB Entry DOI: 10.7270/Q2WS8VM2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50432197 (CHEMBL240697) Show SMILES Clc1ccc(Cn2cc(C=C3N4CCC(CC4)C3=O)c3ccccc23)cc1 |w:9.8,TLB:9:10:12.13:16.15,THB:18:17:12.13:16.15,(31.86,-14.11,;30.32,-14.11,;29.55,-15.45,;28.01,-15.45,;27.25,-14.11,;25.71,-14.11,;24.94,-12.78,;25.85,-11.53,;24.94,-10.27,;25.7,-8.93,;27.24,-8.92,;28.58,-9.92,;28.71,-11.42,;29.78,-10.49,;29.63,-9.01,;31.09,-8.26,;30.35,-9.2,;28.34,-8.06,;28.32,-6.52,;23.46,-10.75,;22.13,-9.99,;20.8,-10.76,;20.79,-12.3,;22.13,-13.07,;23.46,-12.3,;28.01,-12.78,;29.54,-12.78,)| Show InChI InChI=1S/C23H21ClN2O/c24-19-7-5-16(6-8-19)14-26-15-18(20-3-1-2-4-21(20)26)13-22-23(27)17-9-11-25(22)12-10-17/h1-8,13,15,17H,9-12,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CP 55940 from human CB2 receptor expressed in CHO cells after 90 mins by liquid scintillation counting				Bioorg Med Chem Lett 23: 2019-21 (2013) Article DOI: 10.1016/j.bmcl.2013.02.025 BindingDB Entry DOI: 10.7270/Q2WS8VM2
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50496673 (CHEMBL3133793) Show SMILES FC(F)Oc1ccc(CC[C@H]2CCC[C@@H](CCc3ccc(OC(F)F)cc3)N2)cc1 |r| Show InChI InChI=1S/C23H27F4NO2/c24-22(25)29-20-12-6-16(7-13-20)4-10-18-2-1-3-19(28-18)11-5-17-8-14-21(15-9-17)30-23(26)27/h6-9,12-15,18-19,22-23,28H,1-5,10-11H2/t18-,19+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake at VMAT2 in rat striatal synaptic vesicles				Medchemcomm 4: 564-568 (2013) Article DOI: 10.1039/c3md20374c BindingDB Entry DOI: 10.7270/Q2KD21VD
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50553588 (CHEMBL4747163) Show SMILES Fc1ccc(Cn2cc(\C=C3/N4CCC(CC4)C3=O)c3cccnc23)cc1 |(43.82,-36.75,;45.16,-35.99,;45.17,-34.45,;46.51,-33.7,;47.83,-34.49,;49.17,-33.73,;49.18,-32.2,;50.09,-30.95,;49.18,-29.69,;49.17,-28.15,;50.49,-27.37,;51.84,-28.13,;53.16,-27.35,;53.15,-25.81,;51.82,-25.05,;52.57,-26.38,;51.08,-26.77,;50.48,-25.83,;49.15,-25.07,;47.71,-30.18,;46.37,-29.4,;45.03,-30.18,;45.03,-31.73,;46.37,-32.5,;47.71,-31.72,;47.82,-36.02,;46.49,-36.78,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]CP-55940 from CB2 receptor (unknown origin) by competitive binding assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127501 BindingDB Entry DOI: 10.7270/Q2NV9NW2
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50442287 (CHEMBL2442145) Show SMILES COc1ccc(CC[C@H]2C[C@@H](CCc3ccc(OC)cc3)N2)cc1 |r| Show InChI InChI=1S/C21H27NO2/c1-23-20-11-5-16(6-12-20)3-9-18-15-19(22-18)10-4-17-7-13-21(24-2)14-8-17/h5-8,11-14,18-19,22H,3-4,9-10,15H2,1-2H3/t18-,19+	PDB UniProtKB/SwissProt 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
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of VMAT2-mediated [3H]-dopamine uptake in rat striata isolated synaptic vesicles by liquid scintillation spectroscopy				Bioorg Med Chem 21: 6771-7 (2013) Article DOI: 10.1016/j.bmc.2013.08.001 BindingDB Entry DOI: 10.7270/Q23X883J
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50433783 (CHEMBL2381721) Show SMILES COc1ccc(CC[C@H]2CCC[C@@H](CCc3ccc(OC)cc3)N2C[C@@H](O)CO)cc1 |r| Show InChI InChI=1S/C26H37NO4/c1-30-25-14-8-20(9-15-25)6-12-22-4-3-5-23(27(22)18-24(29)19-28)13-7-21-10-16-26(31-2)17-11-21/h8-11,14-17,22-24,28-29H,3-7,12-13,18-19H2,1-2H3/t22-,23+,24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of VMAT2-mediated [3H]DA uptake in rat striatal synaptic vesicles by liquid scintillation spectroscopic analysis				Bioorg Med Chem Lett 23: 3342-5 (2013) Article DOI: 10.1016/j.bmcl.2013.03.092 BindingDB Entry DOI: 10.7270/Q2TD9ZR2
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50433783 (CHEMBL2381721) Show SMILES COc1ccc(CC[C@H]2CCC[C@@H](CCc3ccc(OC)cc3)N2C[C@@H](O)CO)cc1 |r| Show InChI InChI=1S/C26H37NO4/c1-30-25-14-8-20(9-15-25)6-12-22-4-3-5-23(27(22)18-24(29)19-28)13-7-21-10-16-26(31-2)17-11-21/h8-11,14-17,22-24,28-29H,3-7,12-13,18-19H2,1-2H3/t22-,23+,24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake at VMAT2 in rat striatal synaptic vesicles				Medchemcomm 4: 564-568 (2013) Article DOI: 10.1039/c3md20374c BindingDB Entry DOI: 10.7270/Q2KD21VD
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50496681 (CHEMBL3133789) Show SMILES OC[C@H](O)CN1[C@@H](CCc2cccc3ccccc23)CCC[C@H]1CCc1cccc2ccccc12 |r| Show InChI InChI=1S/C32H37NO2/c34-23-30(35)22-33-28(20-18-26-12-5-10-24-8-1-3-16-31(24)26)14-7-15-29(33)21-19-27-13-6-11-25-9-2-4-17-32(25)27/h1-6,8-13,16-17,28-30,34-35H,7,14-15,18-23H2/t28-,29+,30-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake at VMAT2 in rat striatal synaptic vesicles				Medchemcomm 4: 564-568 (2013) Article DOI: 10.1039/c3md20374c BindingDB Entry DOI: 10.7270/Q2KD21VD
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50442289 (CHEMBL2442143) Show SMILES C(Cc1ccc2OCOc2c1)[C@@H]1C[C@@H](CCc2ccc3OCOc3c2)N1 |r| Show InChI InChI=1S/C21H23NO4/c1(14-3-7-18-20(9-14)25-12-23-18)5-16-11-17(22-16)6-2-15-4-8-19-21(10-15)26-13-24-19/h3-4,7-10,16-17,22H,1-2,5-6,11-13H2/t16-,17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of VMAT2-mediated [3H]-dopamine uptake in rat striata isolated synaptic vesicles by liquid scintillation spectroscopy				Bioorg Med Chem 21: 6771-7 (2013) Article DOI: 10.1016/j.bmc.2013.08.001 BindingDB Entry DOI: 10.7270/Q23X883J
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50432197 (CHEMBL240697) Show SMILES Clc1ccc(Cn2cc(C=C3N4CCC(CC4)C3=O)c3ccccc23)cc1 |w:9.8,TLB:9:10:12.13:16.15,THB:18:17:12.13:16.15,(31.86,-14.11,;30.32,-14.11,;29.55,-15.45,;28.01,-15.45,;27.25,-14.11,;25.71,-14.11,;24.94,-12.78,;25.85,-11.53,;24.94,-10.27,;25.7,-8.93,;27.24,-8.92,;28.58,-9.92,;28.71,-11.42,;29.78,-10.49,;29.63,-9.01,;31.09,-8.26,;30.35,-9.2,;28.34,-8.06,;28.32,-6.52,;23.46,-10.75,;22.13,-9.99,;20.8,-10.76,;20.79,-12.3,;22.13,-13.07,;23.46,-12.3,;28.01,-12.78,;29.54,-12.78,)| Show InChI InChI=1S/C23H21ClN2O/c24-19-7-5-16(6-8-19)14-26-15-18(20-3-1-2-4-21(20)26)13-22-23(27)17-9-11-25(22)12-10-17/h1-8,13,15,17H,9-12,14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CP 55940 from CB1 receptor in mouse whole brain membrane homogenates after 90 mins by liquid scintillation counting				Bioorg Med Chem Lett 23: 2019-21 (2013) Article DOI: 10.1016/j.bmcl.2013.02.025 BindingDB Entry DOI: 10.7270/Q2WS8VM2
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50496675 (CHEMBL3133795) Show SMILES COc1ccc(F)c(CC[C@H]2CCC[C@@H](CCc3cc(OC)ccc3F)N2)c1 |r| Show InChI InChI=1S/C23H29F2NO2/c1-27-20-10-12-22(24)16(14-20)6-8-18-4-3-5-19(26-18)9-7-17-15-21(28-2)11-13-23(17)25/h10-15,18-19,26H,3-9H2,1-2H3/t18-,19+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake at VMAT2 in rat striatal synaptic vesicles				Medchemcomm 4: 564-568 (2013) Article DOI: 10.1039/c3md20374c BindingDB Entry DOI: 10.7270/Q2KD21VD
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50171953 ((2R,6S)-2,6-Diphenethyl-piperidine | CHEMBL192329 ...) Show SMILES C(Cc1ccccc1)[C@H]1CCC[C@@H](CCc2ccccc2)N1 |r| Show InChI InChI=1S/C21H27N/c1-3-8-18(9-4-1)14-16-20-12-7-13-21(22-20)17-15-19-10-5-2-6-11-19/h1-6,8-11,20-22H,7,12-17H2/t20-,21+	PDB UniProtKB/SwissProt 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
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of VMAT2-mediated [3H]-dopamine uptake in rat striata isolated synaptic vesicles by liquid scintillation spectroscopy				Bioorg Med Chem 21: 6771-7 (2013) Article DOI: 10.1016/j.bmc.2013.08.001 BindingDB Entry DOI: 10.7270/Q23X883J
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50496680 (CHEMBL3133797) Show SMILES Fc1cc(F)cc(CC[C@H]2CCC[C@@H](CCc3cc(F)cc(F)c3)N2)c1 |r| Show InChI InChI=1S/C21H23F4N/c22-16-8-14(9-17(23)12-16)4-6-20-2-1-3-21(26-20)7-5-15-10-18(24)13-19(25)11-15/h8-13,20-21,26H,1-7H2/t20-,21+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake at VMAT2 in rat striatal synaptic vesicles				Medchemcomm 4: 564-568 (2013) Article DOI: 10.1039/c3md20374c BindingDB Entry DOI: 10.7270/Q2KD21VD
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50171953 ((2R,6S)-2,6-Diphenethyl-piperidine | CHEMBL192329 ...) Show SMILES C(Cc1ccccc1)[C@H]1CCC[C@@H](CCc2ccccc2)N1 |r| Show InChI InChI=1S/C21H27N/c1-3-8-18(9-4-1)14-16-20-12-7-13-21(22-20)17-15-19-10-5-2-6-11-19/h1-6,8-11,20-22H,7,12-17H2/t20-,21+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake at VMAT2 in rat striatal synaptic vesicles				Medchemcomm 4: 564-568 (2013) Article DOI: 10.1039/c3md20374c BindingDB Entry DOI: 10.7270/Q2KD21VD
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50080827 ((2R,6S)-1-Methyl-2,6-diphenethyl-piperidine | (2S,...) Show SMILES CN1[C@@H](CCc2ccccc2)CCC[C@H]1CCc1ccccc1 |r| Show InChI InChI=1S/C22H29N/c1-23-21(17-15-19-9-4-2-5-10-19)13-8-14-22(23)18-16-20-11-6-3-7-12-20/h2-7,9-12,21-22H,8,13-18H2,1H3/t21-,22+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake at VMAT2 in rat striatal synaptic vesicles				Medchemcomm 4: 564-568 (2013) Article DOI: 10.1039/c3md20374c BindingDB Entry DOI: 10.7270/Q2KD21VD
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50080827 ((2R,6S)-1-Methyl-2,6-diphenethyl-piperidine | (2S,...) Show SMILES CN1[C@@H](CCc2ccccc2)CCC[C@H]1CCc1ccccc1 |r| Show InChI InChI=1S/C22H29N/c1-23-21(17-15-19-9-4-2-5-10-19)13-8-14-22(23)18-16-20-11-6-3-7-12-20/h2-7,9-12,21-22H,8,13-18H2,1H3/t21-,22+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of VMAT2-mediated [3H]-dopamine uptake in rat striata isolated synaptic vesicles by liquid scintillation spectroscopy				Bioorg Med Chem 21: 6771-7 (2013) Article DOI: 10.1016/j.bmc.2013.08.001 BindingDB Entry DOI: 10.7270/Q23X883J
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50433777 (CHEMBL2381727) Show SMILES OC[C@H](O)CN1[C@@H](CCc2ccc(OC(F)F)cc2)CC[C@H]1CCc1ccc(OC(F)F)cc1 |r| Show InChI InChI=1S/C25H31F4NO4/c26-24(27)33-22-11-3-17(4-12-22)1-7-19-9-10-20(30(19)15-21(32)16-31)8-2-18-5-13-23(14-6-18)34-25(28)29/h3-6,11-14,19-21,24-25,31-32H,1-2,7-10,15-16H2/t19-,20+,21-/m1/s1	PDB UniProtKB/SwissProt 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
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of VMAT2-mediated [3H]DA uptake in rat striatal synaptic vesicles by liquid scintillation spectroscopic analysis				Bioorg Med Chem Lett 23: 3342-5 (2013) Article DOI: 10.1016/j.bmcl.2013.03.092 BindingDB Entry DOI: 10.7270/Q2TD9ZR2
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50442291 (CHEMBL2442141) Show SMILES C(Cc1ccccc1)[C@@H]1C[C@@H](CCc2ccccc2)N1 |r| Show InChI InChI=1S/C19H23N/c1-3-7-16(8-4-1)11-13-18-15-19(20-18)14-12-17-9-5-2-6-10-17/h1-10,18-20H,11-15H2/t18-,19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of VMAT2-mediated [3H]-dopamine uptake in rat striata isolated synaptic vesicles by liquid scintillation spectroscopy				Bioorg Med Chem 21: 6771-7 (2013) Article DOI: 10.1016/j.bmc.2013.08.001 BindingDB Entry DOI: 10.7270/Q23X883J
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50496665 (CHEMBL3133799) Show SMILES COc1ccc(C[C@H]2CCC[C@@H](Cc3ccc(OC)cc3)N2)cc1 |r| Show InChI InChI=1S/C21H27NO2/c1-23-20-10-6-16(7-11-20)14-18-4-3-5-19(22-18)15-17-8-12-21(24-2)13-9-17/h6-13,18-19,22H,3-5,14-15H2,1-2H3/t18-,19+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake at VMAT2 in rat striatal synaptic vesicles				Medchemcomm 4: 564-568 (2013) Article DOI: 10.1039/c3md20374c BindingDB Entry DOI: 10.7270/Q2KD21VD
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50433779 (CHEMBL2381725) Show SMILES COc1ccc(CC[C@H]2CC[C@@H](CCc3ccc(OC)cc3)N2C[C@@H](O)CO)cc1 |r| Show InChI InChI=1S/C25H35NO4/c1-29-24-13-5-19(6-14-24)3-9-21-11-12-22(26(21)17-23(28)18-27)10-4-20-7-15-25(30-2)16-8-20/h5-8,13-16,21-23,27-28H,3-4,9-12,17-18H2,1-2H3/t21-,22+,23-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of VMAT2-mediated [3H]DA uptake in rat striatal synaptic vesicles by liquid scintillation spectroscopic analysis				Bioorg Med Chem Lett 23: 3342-5 (2013) Article DOI: 10.1016/j.bmcl.2013.03.092 BindingDB Entry DOI: 10.7270/Q2TD9ZR2
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50496691 (CHEMBL3133697) Show SMILES CN(C)N1[C@@H](CCc2ccccc2)CCC[C@H]1CCc1ccccc1 |r| Show InChI InChI=1S/C23H32N2/c1-24(2)25-22(18-16-20-10-5-3-6-11-20)14-9-15-23(25)19-17-21-12-7-4-8-13-21/h3-8,10-13,22-23H,9,14-19H2,1-2H3/t22-,23+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake at VMAT2 in rat striatal synaptic vesicles				Medchemcomm 4: 564-568 (2013) Article DOI: 10.1039/c3md20374c BindingDB Entry DOI: 10.7270/Q2KD21VD
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50432195 (CHEMBL2346977) Show SMILES O=C1C2CCN(CC2)C1=Cc1cn(Cc2ccc(cc2)C#N)c2ccccc12 |w:9.11,(38.64,-12.97,;39.67,-14.11,;41.18,-13.8,;42.21,-14.95,;41.73,-16.41,;40.23,-16.73,;40.31,-15.09,;41.13,-15.03,;39.2,-15.57,;37.69,-15.89,;37.22,-17.35,;38.12,-18.6,;37.22,-19.85,;37.94,-21.21,;37.12,-22.51,;35.59,-22.46,;34.77,-23.76,;35.49,-25.12,;37.04,-25.17,;37.85,-23.87,;34.68,-26.43,;33.87,-27.74,;35.75,-19.37,;34.42,-20.15,;33.08,-19.38,;33.09,-17.84,;34.41,-17.07,;35.75,-17.83,)| Show InChI InChI=1S/C24H21N3O/c25-14-17-5-7-18(8-6-17)15-27-16-20(21-3-1-2-4-22(21)27)13-23-24(28)19-9-11-26(23)12-10-19/h1-8,13,16,19H,9-12,15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CP 55940 from CB1 receptor in mouse whole brain membrane homogenates after 90 mins by liquid scintillation counting				Bioorg Med Chem Lett 23: 2019-21 (2013) Article DOI: 10.1016/j.bmcl.2013.02.025 BindingDB Entry DOI: 10.7270/Q2WS8VM2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50432192 (CHEMBL238083) Show SMILES OC1C2CCN(CC2)\C1=C/c1cn(Cc2ccccc2)c2ccccc12 |TLB:9:8:4.3:6.7,THB:0:1:4.3:6.7,(21.73,3.91,;21.75,2.37,;23.04,1.42,;23.19,-.06,;22.12,-.99,;21.98,.51,;23.76,1.23,;24.5,2.17,;20.65,1.51,;19.11,1.5,;18.35,.16,;19.26,-1.09,;18.35,-2.35,;19.12,-3.68,;20.66,-3.68,;21.42,-5.02,;22.96,-5.02,;23.73,-3.68,;22.95,-2.34,;21.42,-2.35,;16.87,-1.87,;15.54,-2.64,;14.21,-1.87,;14.21,-.33,;15.54,.44,;16.87,-.32,)| Show InChI InChI=1S/C23H24N2O/c26-23-18-10-12-24(13-11-18)22(23)14-19-16-25(15-17-6-2-1-3-7-17)21-9-5-4-8-20(19)21/h1-9,14,16,18,23,26H,10-13,15H2/b22-14-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CP 55940 from human CB2 receptor expressed in CHO cells after 90 mins by liquid scintillation counting				Bioorg Med Chem Lett 23: 2019-21 (2013) Article DOI: 10.1016/j.bmcl.2013.02.025 BindingDB Entry DOI: 10.7270/Q2WS8VM2
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50442286 (CHEMBL2442146) Show SMILES C(Cc1ccc2OCOc2c1)[C@H]1C[C@@H](CCc2ccc3OCOc3c2)N1 |r| Show InChI InChI=1S/C21H23NO4/c1(14-3-7-18-20(9-14)25-12-23-18)5-16-11-17(22-16)6-2-15-4-8-19-21(10-15)26-13-24-19/h3-4,7-10,16-17,22H,1-2,5-6,11-13H2/t16-,17+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of VMAT2-mediated [3H]-dopamine uptake in rat striata isolated synaptic vesicles by liquid scintillation spectroscopy				Bioorg Med Chem 21: 6771-7 (2013) Article DOI: 10.1016/j.bmc.2013.08.001 BindingDB Entry DOI: 10.7270/Q23X883J
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50496694 (CHEMBL3133689) Show SMILES CCN1[C@@H](CCc2ccccc2)CCC[C@H]1CCc1ccccc1 |r| Show InChI InChI=1S/C23H31N/c1-2-24-22(18-16-20-10-5-3-6-11-20)14-9-15-23(24)19-17-21-12-7-4-8-13-21/h3-8,10-13,22-23H,2,9,14-19H2,1H3/t22-,23+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake at VMAT2 in rat striatal synaptic vesicles				Medchemcomm 4: 564-568 (2013) Article DOI: 10.1039/c3md20374c BindingDB Entry DOI: 10.7270/Q2KD21VD
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50496686 (CHEMBL3133794) Show SMILES OC[C@H](O)CN1[C@@H](CCc2ccc(OC(F)F)cc2)CCC[C@H]1CCc1ccc(OC(F)F)cc1 |r| Show InChI InChI=1S/C26H33F4NO4/c27-25(28)34-23-12-6-18(7-13-23)4-10-20-2-1-3-21(31(20)16-22(33)17-32)11-5-19-8-14-24(15-9-19)35-26(29)30/h6-9,12-15,20-22,25-26,32-33H,1-5,10-11,16-17H2/t20-,21+,22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake at VMAT2 in rat striatal synaptic vesicles				Medchemcomm 4: 564-568 (2013) Article DOI: 10.1039/c3md20374c BindingDB Entry DOI: 10.7270/Q2KD21VD
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50442288 (CHEMBL2442144) Show SMILES C(Cc1ccccc1)[C@H]1C[C@@H](CCc2ccccc2)N1 |r| Show InChI InChI=1S/C19H23N/c1-3-7-16(8-4-1)11-13-18-15-19(20-18)14-12-17-9-5-2-6-10-17/h1-10,18-20H,11-15H2/t18-,19+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of VMAT2-mediated [3H]-dopamine uptake in rat striata isolated synaptic vesicles by liquid scintillation spectroscopy				Bioorg Med Chem 21: 6771-7 (2013) Article DOI: 10.1016/j.bmc.2013.08.001 BindingDB Entry DOI: 10.7270/Q23X883J
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50442290 (CHEMBL2442142) Show SMILES COc1ccc(CC[C@@H]2C[C@@H](CCc3ccc(OC)cc3)N2)cc1 |r| Show InChI InChI=1S/C21H27NO2/c1-23-20-11-5-16(6-12-20)3-9-18-15-19(22-18)10-4-17-7-13-21(24-2)14-8-17/h5-8,11-14,18-19,22H,3-4,9-10,15H2,1-2H3/t18-,19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of VMAT2-mediated [3H]-dopamine uptake in rat striata isolated synaptic vesicles by liquid scintillation spectroscopy				Bioorg Med Chem 21: 6771-7 (2013) Article DOI: 10.1016/j.bmc.2013.08.001 BindingDB Entry DOI: 10.7270/Q23X883J
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50432190 (CHEMBL2346980) Show SMILES O=NC1=C(Cc2cn(Cc3ccccc3)c3ccccc23)N2CCC1CC2 |c:2,(8.5,-43.98,;8.03,-45.44,;9.05,-46.59,;8.58,-48.04,;7.08,-48.36,;6.6,-49.83,;7.51,-51.07,;6.6,-52.32,;7.33,-53.68,;6.51,-54.98,;4.97,-54.93,;4.16,-56.23,;4.88,-57.59,;6.42,-57.64,;7.23,-56.34,;5.14,-51.85,;3.8,-52.62,;2.47,-51.85,;2.47,-50.31,;3.8,-49.54,;5.14,-50.3,;9.61,-49.2,;11.11,-48.88,;11.6,-47.42,;10.57,-46.27,;10.51,-47.5,;9.69,-47.57,)| Show InChI InChI=1S/C23H23N3O/c27-24-23-18-10-12-25(13-11-18)22(23)14-19-16-26(15-17-6-2-1-3-7-17)21-9-5-4-8-20(19)21/h1-9,16,18H,10-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CP 55940 from human CB2 receptor expressed in CHO cells after 90 mins by liquid scintillation counting				Bioorg Med Chem Lett 23: 2019-21 (2013) Article DOI: 10.1016/j.bmcl.2013.02.025 BindingDB Entry DOI: 10.7270/Q2WS8VM2
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50496696 (CHEMBL3133790) Show SMILES OC[C@@H](O)CN1[C@@H](CCc2cccc3ccccc23)CCC[C@H]1CCc1cccc2ccccc12 |r| Show InChI InChI=1S/C32H37NO2/c34-23-30(35)22-33-28(20-18-26-12-5-10-24-8-1-3-16-31(24)26)14-7-15-29(33)21-19-27-13-6-11-25-9-2-4-17-32(25)27/h1-6,8-13,16-17,28-30,34-35H,7,14-15,18-23H2/t28-,29+,30-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake at VMAT2 in rat striatal synaptic vesicles				Medchemcomm 4: 564-568 (2013) Article DOI: 10.1039/c3md20374c BindingDB Entry DOI: 10.7270/Q2KD21VD
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50432191 (CHEMBL391430) Show SMILES OC1C2CCN(CC2)\C1=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 |TLB:9:8:4.3:6.7,THB:0:1:4.3:6.7,(28.32,-6.52,;28.34,-8.06,;29.63,-9.01,;29.78,-10.49,;28.71,-11.42,;28.58,-9.92,;30.35,-9.2,;31.09,-8.26,;27.24,-8.92,;25.7,-8.93,;24.94,-10.27,;25.85,-11.53,;24.94,-12.78,;25.71,-14.11,;27.25,-14.11,;28.01,-15.45,;29.55,-15.45,;30.32,-14.11,;31.86,-14.11,;29.54,-12.78,;28.01,-12.78,;23.46,-12.3,;22.13,-13.07,;20.79,-12.3,;20.8,-10.76,;22.13,-9.99,;23.46,-10.75,)| Show InChI InChI=1S/C23H23ClN2O/c24-19-7-5-16(6-8-19)14-26-15-18(20-3-1-2-4-21(20)26)13-22-23(27)17-9-11-25(22)12-10-17/h1-8,13,15,17,23,27H,9-12,14H2/b22-13-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CP 55940 from CB1 receptor in mouse whole brain membrane homogenates after 90 mins by liquid scintillation counting				Bioorg Med Chem Lett 23: 2019-21 (2013) Article DOI: 10.1016/j.bmcl.2013.02.025 BindingDB Entry DOI: 10.7270/Q2WS8VM2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50432193 (CHEMBL2346979) Show SMILES COC(=O)c1ccc2c(C=C3N4CCC(CC4)C3=O)cn(Cc3ccccc3)c2c1 |w:9.8,(7.91,-37.06,;9.24,-36.29,;10.58,-37.05,;10.57,-38.6,;11.91,-36.28,;11.91,-34.74,;13.24,-33.97,;14.58,-34.73,;16.04,-34.26,;16.52,-32.79,;18.02,-32.47,;19.05,-33.63,;20.55,-33.31,;21.04,-31.85,;20.01,-30.7,;19.95,-31.93,;19.13,-32,;18.49,-31.02,;17.47,-29.87,;16.95,-35.5,;16.04,-36.75,;16.77,-38.11,;15.95,-39.42,;14.41,-39.36,;13.6,-40.66,;14.32,-42.02,;15.86,-42.07,;16.67,-40.77,;14.58,-36.28,;13.24,-37.06,)| Show InChI InChI=1S/C25H24N2O3/c1-30-25(29)19-7-8-21-20(14-23-24(28)18-9-11-26(23)12-10-18)16-27(22(21)13-19)15-17-5-3-2-4-6-17/h2-8,13-14,16,18H,9-12,15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CP 55940 from CB1 receptor in mouse whole brain membrane homogenates after 90 mins by liquid scintillation counting				Bioorg Med Chem Lett 23: 2019-21 (2013) Article DOI: 10.1016/j.bmcl.2013.02.025 BindingDB Entry DOI: 10.7270/Q2WS8VM2
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50496693 (CHEMBL3133690) Show SMILES CCCN1[C@@H](CCc2ccccc2)CCC[C@H]1CCc1ccccc1 |r| Show InChI InChI=1S/C24H33N/c1-2-20-25-23(18-16-21-10-5-3-6-11-21)14-9-15-24(25)19-17-22-12-7-4-8-13-22/h3-8,10-13,23-24H,2,9,14-20H2,1H3/t23-,24+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake at VMAT2 in rat striatal synaptic vesicles				Medchemcomm 4: 564-568 (2013) Article DOI: 10.1039/c3md20374c BindingDB Entry DOI: 10.7270/Q2KD21VD
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50496674 (CHEMBL3133788) Show SMILES OC[C@@H](O)CN1[C@@H](CCc2ccc(Cl)cc2Cl)CCC[C@H]1CCc1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C24H29Cl4NO2/c25-18-8-4-16(23(27)12-18)6-10-20-2-1-3-21(29(20)14-22(31)15-30)11-7-17-5-9-19(26)13-24(17)28/h4-5,8-9,12-13,20-22,30-31H,1-3,6-7,10-11,14-15H2/t20-,21+,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake at VMAT2 in rat striatal synaptic vesicles				Medchemcomm 4: 564-568 (2013) Article DOI: 10.1039/c3md20374c BindingDB Entry DOI: 10.7270/Q2KD21VD
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50432189 (CHEMBL2346981) Show SMILES Clc1ccc(Cn2cc(CC3=C(N=O)C4CCN3CC4)c3ccccc23)cc1 |c:10,(14.54,-59.36,;15.36,-58.05,;14.64,-56.69,;15.45,-55.39,;16.99,-55.44,;17.81,-54.14,;17.08,-52.78,;17.99,-51.53,;17.08,-50.29,;17.56,-48.82,;19.06,-48.5,;19.53,-47.05,;18.51,-45.9,;18.98,-44.44,;21.05,-46.73,;22.08,-47.88,;21.59,-49.34,;20.09,-49.66,;20.17,-48.02,;20.99,-47.96,;15.62,-50.76,;14.28,-50,;12.95,-50.77,;12.95,-52.31,;14.28,-53.08,;15.62,-52.3,;17.71,-56.8,;16.9,-58.1,)| Show InChI InChI=1S/C23H22ClN3O/c24-19-7-5-16(6-8-19)14-27-15-18(20-3-1-2-4-21(20)27)13-22-23(25-28)17-9-11-26(22)12-10-17/h1-8,15,17H,9-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	96	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CP 55940 from CB1 receptor in mouse whole brain membrane homogenates after 90 mins by liquid scintillation counting				Bioorg Med Chem Lett 23: 2019-21 (2013) Article DOI: 10.1016/j.bmcl.2013.02.025 BindingDB Entry DOI: 10.7270/Q2WS8VM2
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50496671 (CHEMBL3133798) Show SMILES OC[C@H](O)CN1[C@@H](CCc2cc(F)cc(F)c2)CCC[C@H]1CCc1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C24H29F4NO2/c25-18-8-16(9-19(26)12-18)4-6-22-2-1-3-23(29(22)14-24(31)15-30)7-5-17-10-20(27)13-21(28)11-17/h8-13,22-24,30-31H,1-7,14-15H2/t22-,23+,24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	104	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake at VMAT2 in rat striatal synaptic vesicles				Medchemcomm 4: 564-568 (2013) Article DOI: 10.1039/c3md20374c BindingDB Entry DOI: 10.7270/Q2KD21VD
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50432189 (CHEMBL2346981) Show SMILES Clc1ccc(Cn2cc(CC3=C(N=O)C4CCN3CC4)c3ccccc23)cc1 |c:10,(14.54,-59.36,;15.36,-58.05,;14.64,-56.69,;15.45,-55.39,;16.99,-55.44,;17.81,-54.14,;17.08,-52.78,;17.99,-51.53,;17.08,-50.29,;17.56,-48.82,;19.06,-48.5,;19.53,-47.05,;18.51,-45.9,;18.98,-44.44,;21.05,-46.73,;22.08,-47.88,;21.59,-49.34,;20.09,-49.66,;20.17,-48.02,;20.99,-47.96,;15.62,-50.76,;14.28,-50,;12.95,-50.77,;12.95,-52.31,;14.28,-53.08,;15.62,-52.3,;17.71,-56.8,;16.9,-58.1,)| Show InChI InChI=1S/C23H22ClN3O/c24-19-7-5-16(6-8-19)14-27-15-18(20-3-1-2-4-21(20)27)13-22-23(25-28)17-9-11-26(22)12-10-17/h1-8,15,17H,9-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	107	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CP 55940 from human CB2 receptor expressed in CHO cells after 90 mins by liquid scintillation counting				Bioorg Med Chem Lett 23: 2019-21 (2013) Article DOI: 10.1016/j.bmcl.2013.02.025 BindingDB Entry DOI: 10.7270/Q2WS8VM2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50553585 (CHEMBL4741229) Show SMILES O=C1C2CCN(CC2)\C1=C/c1cn(Cc2ccccc2)c2ncccc12 |(34.95,-5.65,;36.29,-6.41,;37.62,-5.64,;38.96,-6.4,;38.96,-7.94,;37.64,-8.71,;36.88,-7.36,;38.38,-6.96,;36.3,-7.95,;34.97,-8.73,;34.99,-10.28,;35.89,-11.53,;34.99,-12.78,;34.97,-14.32,;33.63,-15.07,;32.31,-14.28,;30.98,-15.04,;30.96,-16.58,;32.29,-17.36,;33.63,-16.6,;33.52,-12.31,;32.18,-13.09,;30.84,-12.32,;30.84,-10.77,;32.17,-9.99,;33.51,-10.76,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]CP-55940 from CB2 receptor (unknown origin) by competitive binding assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127501 BindingDB Entry DOI: 10.7270/Q2NV9NW2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50432191 (CHEMBL391430) Show SMILES OC1C2CCN(CC2)\C1=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 |TLB:9:8:4.3:6.7,THB:0:1:4.3:6.7,(28.32,-6.52,;28.34,-8.06,;29.63,-9.01,;29.78,-10.49,;28.71,-11.42,;28.58,-9.92,;30.35,-9.2,;31.09,-8.26,;27.24,-8.92,;25.7,-8.93,;24.94,-10.27,;25.85,-11.53,;24.94,-12.78,;25.71,-14.11,;27.25,-14.11,;28.01,-15.45,;29.55,-15.45,;30.32,-14.11,;31.86,-14.11,;29.54,-12.78,;28.01,-12.78,;23.46,-12.3,;22.13,-13.07,;20.79,-12.3,;20.8,-10.76,;22.13,-9.99,;23.46,-10.75,)| Show InChI InChI=1S/C23H23ClN2O/c24-19-7-5-16(6-8-19)14-26-15-18(20-3-1-2-4-21(20)26)13-22-23(27)17-9-11-25(22)12-10-17/h1-8,13,15,17,23,27H,9-12,14H2/b22-13-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	113	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CP 55940 from human CB2 receptor expressed in CHO cells after 90 mins by liquid scintillation counting				Bioorg Med Chem Lett 23: 2019-21 (2013) Article DOI: 10.1016/j.bmcl.2013.02.025 BindingDB Entry DOI: 10.7270/Q2WS8VM2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50432195 (CHEMBL2346977) Show SMILES O=C1C2CCN(CC2)C1=Cc1cn(Cc2ccc(cc2)C#N)c2ccccc12 |w:9.11,(38.64,-12.97,;39.67,-14.11,;41.18,-13.8,;42.21,-14.95,;41.73,-16.41,;40.23,-16.73,;40.31,-15.09,;41.13,-15.03,;39.2,-15.57,;37.69,-15.89,;37.22,-17.35,;38.12,-18.6,;37.22,-19.85,;37.94,-21.21,;37.12,-22.51,;35.59,-22.46,;34.77,-23.76,;35.49,-25.12,;37.04,-25.17,;37.85,-23.87,;34.68,-26.43,;33.87,-27.74,;35.75,-19.37,;34.42,-20.15,;33.08,-19.38,;33.09,-17.84,;34.41,-17.07,;35.75,-17.83,)| Show InChI InChI=1S/C24H21N3O/c25-14-17-5-7-18(8-6-17)15-27-16-20(21-3-1-2-4-22(21)27)13-23-24(28)19-9-11-26(23)12-10-19/h1-8,13,16,19H,9-12,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	114	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CP 55940 from human CB2 receptor expressed in CHO cells after 90 mins by liquid scintillation counting				Bioorg Med Chem Lett 23: 2019-21 (2013) Article DOI: 10.1016/j.bmcl.2013.02.025 BindingDB Entry DOI: 10.7270/Q2WS8VM2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50553586 (CHEMBL4794483) Show SMILES Clc1ccc(Cn2cc(\C=C3/N4CCC(CC4)C3=O)c3cccnc23)cc1 |(42.77,-16.76,;44.11,-16,;44.13,-14.46,;45.47,-13.71,;46.79,-14.5,;48.13,-13.74,;48.14,-12.21,;49.05,-10.96,;48.14,-9.7,;48.13,-8.16,;49.45,-7.38,;50.8,-8.14,;52.12,-7.36,;52.11,-5.82,;50.77,-5.06,;51.53,-6.39,;50.04,-6.78,;49.44,-5.84,;48.1,-5.08,;46.67,-10.19,;45.32,-9.41,;43.99,-10.19,;43.99,-11.74,;45.33,-12.51,;46.67,-11.73,;46.78,-16.03,;45.45,-16.78,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	115	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]CP-55940 from CB2 receptor (unknown origin) by competitive binding assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127501 BindingDB Entry DOI: 10.7270/Q2NV9NW2
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50496696 (CHEMBL3133790) Show SMILES OC[C@@H](O)CN1[C@@H](CCc2cccc3ccccc23)CCC[C@H]1CCc1cccc2ccccc12 |r| Show InChI InChI=1S/C32H37NO2/c34-23-30(35)22-33-28(20-18-26-12-5-10-24-8-1-3-16-31(24)26)14-7-15-29(33)21-19-27-13-6-11-25-9-2-4-17-32(25)27/h1-6,8-13,16-17,28-30,34-35H,7,14-15,18-23H2/t28-,29+,30-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of [3H]DTBZ binding to VMAT2 in rat synaptic vesicle membranes				Medchemcomm 4: 564-568 (2013) Article DOI: 10.1039/c3md20374c BindingDB Entry DOI: 10.7270/Q2KD21VD
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50432199 (CHEMBL238082) Show SMILES O=C1C2CCN(CC2)C1=Cc1cn(Cc2ccccc2)c2ccccc12 |w:9.11,TLB:9:8:4.3:6.7,THB:0:1:4.3:6.7,(2.62,3.15,;2.64,1.61,;3.93,.66,;4.08,-.81,;3.01,-1.74,;2.87,-.24,;4.65,.48,;5.39,1.42,;1.54,.76,;,.75,;-.76,-.59,;.15,-1.85,;-.76,-3.1,;.01,-4.44,;1.55,-4.44,;2.31,-5.77,;3.85,-5.77,;4.62,-4.44,;3.84,-3.1,;2.31,-3.11,;-2.24,-2.63,;-3.57,-3.4,;-4.9,-2.63,;-4.9,-1.08,;-3.57,-.31,;-2.24,-1.07,)| Show InChI InChI=1S/C23H22N2O/c26-23-18-10-12-24(13-11-18)22(23)14-19-16-25(15-17-6-2-1-3-7-17)21-9-5-4-8-20(19)21/h1-9,14,16,18H,10-13,15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	135	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CP 55940 from CB1 receptor in mouse whole brain membrane homogenates after 90 mins by liquid scintillation counting				Bioorg Med Chem Lett 23: 2019-21 (2013) Article DOI: 10.1016/j.bmcl.2013.02.025 BindingDB Entry DOI: 10.7270/Q2WS8VM2
					More data for this Ligand-Target Pair

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