Compile Data Set for Download or QSAR

Found 98 hits with Last Name = 'prather' and Initial = 'pl'   

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 UniProtKB/TrEMBL 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 1 (Mus musculus (Mouse))	BDBM239073 (US9416103, CP-55,940) Show SMILES CCCCCCC(C)(C)c1ccc(C2CC(O)CC[C@H]2CCCO)c(O)c1 |r| Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20?,22?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	0.370	-53.8	n/a	n/a	n/a	n/a	n/a	n/a	25
The Board of Trustees of the University of Arkansas; The University of Kansas US Patent					Assay Description Competition receptor binding was performed as previously described [Shoemaker et al., J. Pharmacol. Exp. Ther., 314:868-75]. Briefly, 50 μg of mou...				US Patent US9416103 (2016) BindingDB Entry DOI: 10.7270/Q2HX1BKQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50088439 (CHEMBL3526578) Show SMILES FCCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C24H22FNO/c25-15-6-1-7-16-26-17-22(20-12-4-5-14-23(20)26)24(27)21-13-8-10-18-9-2-3-11-19(18)21/h2-5,8-14,17H,1,6-7,15-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.395	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-55,940 from CB1 receptor in B6SJL mouse brain membrane after 90 mins by liquid scintillation spectrophotometric analysis				Drug Metab Dispos 40: 2174-84 (2012) Article DOI: 10.1124/dmd.112.047530 BindingDB Entry DOI: 10.7270/Q23R0VK3
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM239078 (US9416103, TV-5-157) Show SMILES CCCCn1cc(C(=O)c2cccc3ccccc23)c2cccc(OC)c12 Show InChI InChI=1S/C24H23NO2/c1-3-4-15-25-16-21(19-12-8-14-22(27-2)23(19)25)24(26)20-13-7-10-17-9-5-6-11-18(17)20/h5-14,16H,3-4,15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated adenylyl cyclase activity after 15 min...				J Med Chem 56: 4537-50 (2013) Article DOI: 10.1021/jm400268b BindingDB Entry DOI: 10.7270/Q25M68M1
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM239078 (US9416103, TV-5-157) Show SMILES CCCCn1cc(C(=O)c2cccc3ccccc23)c2cccc(OC)c12 Show InChI InChI=1S/C24H23NO2/c1-3-4-15-25-16-21(19-12-8-14-22(27-2)23(19)25)24(26)20-13-7-10-17-9-5-6-11-18(17)20/h5-14,16H,3-4,15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Board of Trustees of the University of Arkansas; The University of Kansas US Patent					Assay Description A functional assay screen for the inhibition of adenylate cyclase (AC) activity was chosen as the subsequent assay. This screen would allow us to gai...				US Patent US9416103 (2016) BindingDB Entry DOI: 10.7270/Q2HX1BKQ
					More data for this Ligand-Target Pair
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 UniProtKB/TrEMBL 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 1 (Mus musculus (Mouse))	BDBM50353747 (CHEMBL561013 | JWH-018) Show SMILES CCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C24H23NO/c1-2-3-8-16-25-17-22(20-13-6-7-15-23(20)25)24(26)21-14-9-11-18-10-4-5-12-19(18)21/h4-7,9-15,17H,2-3,8,16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents 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-55,940 from CB1 receptor in B6SJL mouse brain membrane after 90 mins by liquid scintillation spectrophotometric analysis				Drug Metab Dispos 40: 2174-84 (2012) Article DOI: 10.1124/dmd.112.047530 BindingDB Entry DOI: 10.7270/Q23R0VK3
					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 UniProtKB/TrEMBL 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 2 (Homo sapiens (Human))	BDBM50572486 (CHEMBL4860950) Show SMILES CCCCCn1cc(C(=O)c2cccc3CC(C)(C)Cc23)c2ccccc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells incubated for 90 mins by liquid scintillation spectrophotometry relative ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00442 BindingDB Entry DOI: 10.7270/Q2B56PHQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50572486 (CHEMBL4860950) Show SMILES CCCCCn1cc(C(=O)c2cccc3CC(C)(C)Cc23)c2ccccc12 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cells incubated for 90 mins by liquid scintillation spectrophotometry relative ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00442 BindingDB Entry DOI: 10.7270/Q2B56PHQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM239078 (US9416103, TV-5-157) Show SMILES CCCCn1cc(C(=O)c2cccc3ccccc23)c2cccc(OC)c12 Show InChI InChI=1S/C24H23NO2/c1-3-4-15-25-16-21(19-12-8-14-22(27-2)23(19)25)24(26)20-13-7-10-17-9-5-6-11-18(17)20/h5-14,16H,3-4,15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description Agonist activity at CB1 receptor in mouse Neuro2a cells assessed as inhibition of forskolin-stimulated adenylyl cyclase activity after 15 mins by liq...				J Med Chem 56: 4537-50 (2013) Article DOI: 10.1021/jm400268b BindingDB Entry DOI: 10.7270/Q25M68M1
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM239078 (US9416103, TV-5-157) Show SMILES CCCCn1cc(C(=O)c2cccc3ccccc23)c2cccc(OC)c12 Show InChI InChI=1S/C24H23NO2/c1-3-4-15-25-16-21(19-12-8-14-22(27-2)23(19)25)24(26)20-13-7-10-17-9-5-6-11-18(17)20/h5-14,16H,3-4,15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Board of Trustees of the University of Arkansas; The University of Kansas US Patent					Assay Description A functional assay screen for the inhibition of adenylate cyclase (AC) activity was chosen as the subsequent assay. This screen would allow us to gai...				US Patent US9416103 (2016) BindingDB Entry DOI: 10.7270/Q2HX1BKQ
					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 UniProtKB/TrEMBL 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 UniProtKB/TrEMBL 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 2 (Homo sapiens (Human))	BDBM50353747 (CHEMBL561013 | JWH-018) Show SMILES CCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C24H23NO/c1-2-3-8-16-25-17-22(20-13-6-7-15-23(20)25)24(26)21-14-9-11-18-10-4-5-12-19(18)21/h4-7,9-15,17H,2-3,8,16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells incubated for 90 mins by liquid scintillation spectrophotometry relative ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00442 BindingDB Entry DOI: 10.7270/Q2B56PHQ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50041958 (2-(1-{2-[2-amino-3-(4-hydroxyphenyl)propanoyl]-1,2...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C37H38N4O6/c38-30(19-26-15-17-29(42)18-16-26)36(45)41-23-28-14-8-7-13-27(28)22-33(41)35(44)39-31(20-24-9-3-1-4-10-24)34(43)40-32(37(46)47)21-25-11-5-2-6-12-25/h1-18,30-33,42H,19-23,38H2,(H,39,44)(H,40,43)(H,46,47)/t30-,31-,32-,33?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.02	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by PDSP Ki Database									J Pharmacol Exp Ther 301: 661-71 (2002) Article DOI: 10.1124/jpet.301.2.661 BindingDB Entry DOI: 10.7270/Q27D2SQM
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50572487 (CHEMBL4856192) Show SMILES CCCCCn1cc(C(=O)c2ccc3CC(C)(C)Cc3c2)c2ccccc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells incubated for 90 mins by liquid scintillation spectrophotometry relative ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00442 BindingDB Entry DOI: 10.7270/Q2B56PHQ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50041958 (2-(1-{2-[2-amino-3-(4-hydroxyphenyl)propanoyl]-1,2...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C37H38N4O6/c38-30(19-26-15-17-29(42)18-16-26)36(45)41-23-28-14-8-7-13-27(28)22-33(41)35(44)39-31(20-24-9-3-1-4-10-24)34(43)40-32(37(46)47)21-25-11-5-2-6-12-25/h1-18,30-33,42H,19-23,38H2,(H,39,44)(H,40,43)(H,46,47)/t30-,31-,32-,33?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by PDSP Ki Database									J Pharmacol Exp Ther 301: 661-71 (2002) Article DOI: 10.1124/jpet.301.2.661 BindingDB Entry DOI: 10.7270/Q27D2SQM
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50353747 (CHEMBL561013 | JWH-018) Show SMILES CCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C24H23NO/c1-2-3-8-16-25-17-22(20-13-6-7-15-23(20)25)24(26)21-14-9-11-18-10-4-5-12-19(18)21/h4-7,9-15,17H,2-3,8,16H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cells incubated for 90 mins by liquid scintillation spectrophotometry relative ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00442 BindingDB Entry DOI: 10.7270/Q2B56PHQ
					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))	BDBM85804 (1-Naphthyl(1-butyl-1H-indole-3-yl)methanone | JWH-...) Show SMILES CCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C23H21NO/c1-2-3-15-24-16-21(19-12-6-7-14-22(19)24)23(25)20-13-8-10-17-9-4-5-11-18(17)20/h4-14,16H,2-3,15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	9.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated adenylyl cyclase activity after 15 min...				J Med Chem 56: 4537-50 (2013) Article DOI: 10.1021/jm400268b BindingDB Entry DOI: 10.7270/Q25M68M1
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM85804 (1-Naphthyl(1-butyl-1H-indole-3-yl)methanone | JWH-...) Show SMILES CCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C23H21NO/c1-2-3-15-24-16-21(19-12-6-7-14-22(19)24)23(25)20-13-8-10-17-9-4-5-11-18(17)20/h4-14,16H,2-3,15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	9.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Board of Trustees of the University of Arkansas; The University of Kansas US Patent					Assay Description A functional assay screen for the inhibition of adenylate cyclase (AC) activity was chosen as the subsequent assay. This screen would allow us to gai...				US Patent US9416103 (2016) BindingDB Entry DOI: 10.7270/Q2HX1BKQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM239077 (US9416103, TV-5-249) Show SMILES CCCCn1cc(Cc2cccc3ccccc23)c2cccc(OC)c12 Show InChI InChI=1S/C24H25NO/c1-3-4-15-25-17-20(22-13-8-14-23(26-2)24(22)25)16-19-11-7-10-18-9-5-6-12-21(18)19/h5-14,17H,3-4,15-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	10.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Board of Trustees of the University of Arkansas; The University of Kansas US Patent					Assay Description A functional assay screen for the inhibition of adenylate cyclase (AC) activity was chosen as the subsequent assay. This screen would allow us to gai...				US Patent US9416103 (2016) BindingDB Entry DOI: 10.7270/Q2HX1BKQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM239077 (US9416103, TV-5-249) Show SMILES CCCCn1cc(Cc2cccc3ccccc23)c2cccc(OC)c12 Show InChI InChI=1S/C24H25NO/c1-3-4-15-25-17-20(22-13-8-14-23(26-2)24(22)25)16-19-11-7-10-18-9-5-6-12-21(18)19/h5-14,17H,3-4,15-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated adenylyl cyclase activity after 15 min...				J Med Chem 56: 4537-50 (2013) Article DOI: 10.1021/jm400268b BindingDB Entry DOI: 10.7270/Q25M68M1
					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 UniProtKB/TrEMBL 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 (Mus musculus (Mouse))	BDBM85804 (1-Naphthyl(1-butyl-1H-indole-3-yl)methanone | JWH-...) Show SMILES CCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C23H21NO/c1-2-3-15-24-16-21(19-12-6-7-14-22(19)24)23(25)20-13-8-10-17-9-4-5-11-18(17)20/h4-14,16H,2-3,15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	12.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Board of Trustees of the University of Arkansas; The University of Kansas US Patent					Assay Description A functional assay screen for the inhibition of adenylate cyclase (AC) activity was chosen as the subsequent assay. This screen would allow us to gai...				US Patent US9416103 (2016) BindingDB Entry DOI: 10.7270/Q2HX1BKQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM85804 (1-Naphthyl(1-butyl-1H-indole-3-yl)methanone | JWH-...) Show SMILES CCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C23H21NO/c1-2-3-15-24-16-21(19-12-6-7-14-22(19)24)23(25)20-13-8-10-17-9-4-5-11-18(17)20/h4-14,16H,2-3,15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	12.9	-45.0	n/a	n/a	n/a	n/a	n/a	n/a	25
The Board of Trustees of the University of Arkansas; The University of Kansas US Patent					Assay Description Competition receptor binding was performed as previously described [Shoemaker et al., J. Pharmacol. Exp. Ther., 314:868-75]. Briefly, 50 μg of mou...				US Patent US9416103 (2016) BindingDB Entry DOI: 10.7270/Q2HX1BKQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM85804 (1-Naphthyl(1-butyl-1H-indole-3-yl)methanone | JWH-...) Show SMILES CCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C23H21NO/c1-2-3-15-24-16-21(19-12-6-7-14-22(19)24)23(25)20-13-8-10-17-9-4-5-11-18(17)20/h4-14,16H,2-3,15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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
The University of Kansas Curated by ChEMBL					Assay Description Agonist activity at CB1 receptor in mouse Neuro2a cells assessed as inhibition of forskolin-stimulated adenylyl cyclase activity after 15 mins by liq...				J Med Chem 56: 4537-50 (2013) Article DOI: 10.1021/jm400268b BindingDB Entry DOI: 10.7270/Q25M68M1
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM239074 (US9416103, JWH-073-M1) Show SMILES CCCCn1cc(C(=O)c2cccc3ccccc23)c2c(O)cccc12 Show InChI InChI=1S/C23H21NO2/c1-2-3-14-24-15-19(22-20(24)12-7-13-21(22)25)23(26)18-11-6-9-16-8-4-5-10-17(16)18/h4-13,15,25H,2-3,14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	14.1	-44.8	n/a	n/a	n/a	n/a	n/a	n/a	25
The Board of Trustees of the University of Arkansas; The University of Kansas US Patent					Assay Description Competition receptor binding was performed as previously described [Shoemaker et al., J. Pharmacol. Exp. Ther., 314:868-75]. Briefly, 50 μg of mou...				US Patent US9416103 (2016) BindingDB Entry DOI: 10.7270/Q2HX1BKQ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM21008 ((4S,7S,13S)-13-[(2S)-2-amino-3-(4-hydroxyphenyl)pr...) Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21-,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	14.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by PDSP Ki Database									J Pharmacol Exp Ther 301: 661-71 (2002) Article DOI: 10.1124/jpet.301.2.661 BindingDB Entry DOI: 10.7270/Q27D2SQM
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM60994 ((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...) Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	15	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-55,940 from CB1 receptor in B6SJL mouse brain membrane after 90 mins by liquid scintillation spectrophotometric analysis				Drug Metab Dispos 40: 2174-84 (2012) Article DOI: 10.1124/dmd.112.047530 BindingDB Entry DOI: 10.7270/Q23R0VK3
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM239077 (US9416103, TV-5-249) Show SMILES CCCCn1cc(Cc2cccc3ccccc23)c2cccc(OC)c12 Show InChI InChI=1S/C24H25NO/c1-3-4-15-25-17-20(22-13-8-14-23(26-2)24(22)25)16-19-11-7-10-18-9-5-6-12-21(18)19/h5-14,17H,3-4,15-16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description Agonist activity at CB1 receptor in mouse Neuro2a cells assessed as inhibition of forskolin-stimulated adenylyl cyclase activity after 15 mins by liq...				J Med Chem 56: 4537-50 (2013) Article DOI: 10.1021/jm400268b BindingDB Entry DOI: 10.7270/Q25M68M1
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50088440 (CHEMBL3526291) Show SMILES CC(O)CCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C24H23NO2/c1-17(26)8-7-15-25-16-22(20-12-4-5-14-23(20)25)24(27)21-13-6-10-18-9-2-3-11-19(18)21/h2-6,9-14,16-17,26H,7-8,15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	15	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-55,940 from CB1 receptor in B6SJL mouse brain membrane after 90 mins by liquid scintillation spectrophotometric analysis				Drug Metab Dispos 40: 2174-84 (2012) Article DOI: 10.1124/dmd.112.047530 BindingDB Entry DOI: 10.7270/Q23R0VK3
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM239077 (US9416103, TV-5-249) Show SMILES CCCCn1cc(Cc2cccc3ccccc23)c2cccc(OC)c12 Show InChI InChI=1S/C24H25NO/c1-3-4-15-25-17-20(22-13-8-14-23(26-2)24(22)25)16-19-11-7-10-18-9-5-6-12-21(18)19/h5-14,17H,3-4,15-16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	15.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Board of Trustees of the University of Arkansas; The University of Kansas US Patent					Assay Description A functional assay screen for the inhibition of adenylate cyclase (AC) activity was chosen as the subsequent assay. This screen would allow us to gai...				US Patent US9416103 (2016) BindingDB Entry DOI: 10.7270/Q2HX1BKQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50572485 (CHEMBL4855206) Show SMILES CC1(C)Cc2ccc(cc2C1)C(=O)c1cn(CCCC=C)c2ccccc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells incubated for 90 mins by liquid scintillation spectrophotometry relative ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00442 BindingDB Entry DOI: 10.7270/Q2B56PHQ
					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 UniProtKB/TrEMBL 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 UniProtKB/TrEMBL 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
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM239075 (US9416103, JWH-073-M4) Show SMILES CCCCn1cc(C(=O)c2cccc3ccccc23)c2cccc(O)c12 Show InChI InChI=1S/C23H21NO2/c1-2-3-14-24-15-20(18-11-7-13-21(25)22(18)24)23(26)19-12-6-9-16-8-4-5-10-17(16)19/h4-13,15,25H,2-3,14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description Agonist activity at CB1 receptor in mouse Neuro2a cells assessed as inhibition of forskolin-stimulated adenylyl cyclase activity after 15 mins by liq...				J Med Chem 56: 4537-50 (2013) Article DOI: 10.1021/jm400268b BindingDB Entry DOI: 10.7270/Q25M68M1
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50572489 (CHEMBL4877815) Show SMILES CC1(C)Cc2ccc(cc2C1)C(=O)c1cn(CCCC#C)c2ccccc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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]-CP55940 from human CB2 receptor expressed in CHO cells incubated for 90 mins by liquid scintillation spectrophotometry relative ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00442 BindingDB Entry DOI: 10.7270/Q2B56PHQ
					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 UniProtKB/TrEMBL 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
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM239075 (US9416103, JWH-073-M4) Show SMILES CCCCn1cc(C(=O)c2cccc3ccccc23)c2cccc(O)c12 Show InChI InChI=1S/C23H21NO2/c1-2-3-14-24-15-20(18-11-7-13-21(25)22(18)24)23(26)19-12-6-9-16-8-4-5-10-17(16)19/h4-13,15,25H,2-3,14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	24.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Board of Trustees of the University of Arkansas; The University of Kansas US Patent					Assay Description A functional assay screen for the inhibition of adenylate cyclase (AC) activity was chosen as the subsequent assay. This screen would allow us to gai...				US Patent US9416103 (2016) BindingDB Entry DOI: 10.7270/Q2HX1BKQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM239079 (US9416103, TV-6-41) Show SMILES CCCCn1cc(-c2cccc3ccccc23)c2cccc(OC)c12 Show InChI InChI=1S/C23H23NO/c1-3-4-15-24-16-21(20-13-8-14-22(25-2)23(20)24)19-12-7-10-17-9-5-6-11-18(17)19/h5-14,16H,3-4,15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	26.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Board of Trustees of the University of Arkansas; The University of Kansas US Patent					Assay Description A functional assay screen for the inhibition of adenylate cyclase (AC) activity was chosen as the subsequent assay. This screen would allow us to gai...				US Patent US9416103 (2016) BindingDB Entry DOI: 10.7270/Q2HX1BKQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50491525 (CHEMBL2380408) Show SMILES CCCCn1cc(-c2ccc3ccccc3c2)c2cccc(OC)c12 Show InChI InChI=1S/C23H23NO/c1-3-4-14-24-16-21(20-10-7-11-22(25-2)23(20)24)19-13-12-17-8-5-6-9-18(17)15-19/h5-13,15-16H,3-4,14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated adenylyl cyclase activity after 15 min...				J Med Chem 56: 4537-50 (2013) Article DOI: 10.1021/jm400268b BindingDB Entry DOI: 10.7270/Q25M68M1
					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
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50088444 (CHEMBL3526177) Show SMILES OCCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C24H23NO2/c26-16-7-1-6-15-25-17-22(20-12-4-5-14-23(20)25)24(27)21-13-8-10-18-9-2-3-11-19(18)21/h2-5,8-14,17,26H,1,6-7,15-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	35	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-55,940 from CB1 receptor in B6SJL mouse brain membrane after 90 mins by liquid scintillation spectrophotometric analysis				Drug Metab Dispos 40: 2174-84 (2012) Article DOI: 10.1124/dmd.112.047530 BindingDB Entry DOI: 10.7270/Q23R0VK3
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50491525 (CHEMBL2380408) Show SMILES CCCCn1cc(-c2ccc3ccccc3c2)c2cccc(OC)c12 Show InChI InChI=1S/C23H23NO/c1-3-4-14-24-16-21(20-10-7-11-22(25-2)23(20)24)19-13-12-17-8-5-6-9-18(17)15-19/h5-13,15-16H,3-4,14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description Agonist activity at CB1 receptor in mouse Neuro2a cells assessed as inhibition of forskolin-stimulated adenylyl cyclase activity after 15 mins by liq...				J Med Chem 56: 4537-50 (2013) Article DOI: 10.1021/jm400268b BindingDB Entry DOI: 10.7270/Q25M68M1
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM239079 (US9416103, TV-6-41) Show SMILES CCCCn1cc(-c2cccc3ccccc23)c2cccc(OC)c12 Show InChI InChI=1S/C23H23NO/c1-3-4-15-24-16-21(20-13-8-14-22(25-2)23(20)24)19-12-7-10-17-9-5-6-11-18(17)19/h5-14,16H,3-4,15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	37.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Board of Trustees of the University of Arkansas; The University of Kansas US Patent					Assay Description A functional assay screen for the inhibition of adenylate cyclase (AC) activity was chosen as the subsequent assay. This screen would allow us to gai...				US Patent US9416103 (2016) BindingDB Entry DOI: 10.7270/Q2HX1BKQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50572487 (CHEMBL4856192) Show SMILES CCCCCn1cc(C(=O)c2ccc3CC(C)(C)Cc3c2)c2ccccc12 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia 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
TBA					Assay Description Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cells incubated for 90 mins by liquid scintillation spectrophotometry relative ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00442 BindingDB Entry DOI: 10.7270/Q2B56PHQ
					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 UniProtKB/TrEMBL 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

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