Compile Data Set for Download or QSAR

Found 4421 hits of ec50 for UniProtKB: P21554   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50573090 (CHEMBL4847866) Show SMILES [O-][n+]1ccnc(c1)-n1nc(C(=O)NC23CCC(CC2)CC3)c2CC3CCC(O3)c12 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.0200	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as increase in cAMP level incubated for 20 mins measured after 60 mins addi...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00331 BindingDB Entry DOI: 10.7270/Q2JH3R00
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50573088 (CHEMBL4873473) Show SMILES O=C(NC12CC3CC1CC(C2)C3)c1nn(c2C3CCC(Cc12)O3)-c1cnccn1 |TLB:8:7:11.9.10:4,THB:8:9:6.7:4| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.0200	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as increase in cAMP level incubated for 20 mins measured after 60 mins addi...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00331 BindingDB Entry DOI: 10.7270/Q2JH3R00
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50288370 (CHEMBL4169198 | US11472787, Compound 10,11-EDP-CA) Show SMILES CC\C=C/C\C=C/C\C=C/CC1OC1C\C=C/C\C=C/CCC(=O)NC1CC1 Show InChI InChI=1S/C25H37NO2/c1-2-3-4-5-6-7-8-11-14-17-23-24(28-23)18-15-12-9-10-13-16-19-25(27)26-22-20-21-22/h3-4,6-7,10-15,22-24H,2,5,8-9,16-21H2,1H3,(H,26,27)/b4-3-,7-6-,13-10-,14-11-,15-12-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	0.0300	n/a	n/a	n/a	n/a
TBA					Assay Description Binding of the parent compounds to putative receptors CNR1 and CNR2 (cannabinoid receptors 1& 2) was measured by a Presto-Tango assay (FIG. 5A and FI...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QC06SQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50288370 (CHEMBL4169198 | US11472787, Compound 10,11-EDP-CA) Show SMILES CC\C=C/C\C=C/C\C=C/CC1OC1C\C=C/C\C=C/CCC(=O)NC1CC1 Show InChI InChI=1S/C25H37NO2/c1-2-3-4-5-6-7-8-11-14-17-23-24(28-23)18-15-12-9-10-13-16-19-25(27)26-22-20-21-22/h3-4,6-7,10-15,22-24H,2,5,8-9,16-21H2,1H3,(H,26,27)/b4-3-,7-6-,13-10-,14-11-,15-12-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0300	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at N-terminal FLAG-tagged human CB1 receptor transfected in human HTLA cells assessed as induction of beta-arrestin-recruitment afte...				J Med Chem 61: 5569-5579 (2018) Article DOI: 10.1021/acs.jmedchem.8b00243 BindingDB Entry DOI: 10.7270/Q2P84FDV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50573087 (CHEMBL4862304) Show SMILES FC(F)(F)C1(CCC1)NC(=O)c1nn(c2C3CCC(Cc12)O3)-c1cnccn1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.0400	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as increase in cAMP level incubated for 20 mins measured after 60 mins addi...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00331 BindingDB Entry DOI: 10.7270/Q2JH3R00
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50573093 (CHEMBL4875720) Show SMILES CCC(C)(C)c1noc(n1)-c1nn(c2C3CCC(Cc12)O3)-c1cnccn1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.0400	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as increase in cAMP level incubated for 20 mins measured after 60 mins addi...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00331 BindingDB Entry DOI: 10.7270/Q2JH3R00
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50573089 (CHEMBL4846759) Show SMILES [O-][n+]1ccnc(c1)-n1nc(C(=O)NC23CC(C2)C3)c2CC3CCC(O3)c12 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.0500	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as increase in cAMP level incubated for 20 mins measured after 60 mins addi...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00331 BindingDB Entry DOI: 10.7270/Q2JH3R00
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50573091 (CHEMBL4865162) Show SMILES CC(C)(C)c1nnc(s1)-c1nn(c2C3CCC(Cc12)O3)-c1c[n+]([O-])ccn1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.0600	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as increase in cAMP level incubated for 20 mins measured after 60 mins addi...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00331 BindingDB Entry DOI: 10.7270/Q2JH3R00
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50288371 (CHEMBL4177060 | US11472787, Compound 10,11-EDP-IA) Show SMILES CC\C=C/C\C=C/C\C=C/CC1OC1C\C=C/C\C=C/CCC(=O)NC(C)CO Show InChI InChI=1S/C25H39NO3/c1-3-4-5-6-7-8-9-12-15-18-23-24(29-23)19-16-13-10-11-14-17-20-25(28)26-22(2)21-27/h4-5,7-8,11-16,22-24,27H,3,6,9-10,17-21H2,1-2H3,(H,26,28)/b5-4-,8-7-,14-11-,15-12-,16-13-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0700	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at N-terminal FLAG-tagged human CB1 receptor transfected in human HTLA cells assessed as induction of beta-arrestin-recruitment afte...				J Med Chem 61: 5569-5579 (2018) Article DOI: 10.1021/acs.jmedchem.8b00243 BindingDB Entry DOI: 10.7270/Q2P84FDV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50288371 (CHEMBL4177060 | US11472787, Compound 10,11-EDP-IA) Show SMILES CC\C=C/C\C=C/C\C=C/CC1OC1C\C=C/C\C=C/CCC(=O)NC(C)CO Show InChI InChI=1S/C25H39NO3/c1-3-4-5-6-7-8-9-12-15-18-23-24(29-23)19-16-13-10-11-14-17-20-25(28)26-22(2)21-27/h4-5,7-8,11-16,22-24,27H,3,6,9-10,17-21H2,1-2H3,(H,26,28)/b5-4-,8-7-,14-11-,15-12-,16-13-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	n/a	n/a	0.0700	n/a	n/a	n/a	n/a
TBA					Assay Description Binding of the parent compounds to putative receptors CNR1 and CNR2 (cannabinoid receptors 1& 2) was measured by a Presto-Tango assay (FIG. 5A and FI...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QC06SQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50573094 (CHEMBL4872695) Show SMILES Fc1ccc(c(F)c1)-n1nc(C(=O)NC23CC4CC2CC(C3)C4)c2CC3CCC(O3)c12 |TLB:19:18:22.20.21:15,THB:19:20:17.18:15| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.0800	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as increase in cAMP level incubated for 20 mins measured after 60 mins addi...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00331 BindingDB Entry DOI: 10.7270/Q2JH3R00
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50582406 (CHEMBL5091754) Show SMILES [H][C@@]12C[C@H](CO)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)CCCCCCC#N |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.0880	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at 3xHA tagged human CB1 receptor expressed in CHO-K1 cells assessed as reduction in forskolin-stimulated cAMP accumulation incubate...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02053 BindingDB Entry DOI: 10.7270/Q2TB1BSB
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50573086 (CHEMBL4871491) Show SMILES [H][C@]12CC[C@]([H])(O1)c1c(C2)c(nn1-c1cnccn1)C(=O)N[C@H](CO)C(C)(C)C |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.0900	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as increase in cAMP level incubated for 20 mins measured after 60 mins addi...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00331 BindingDB Entry DOI: 10.7270/Q2JH3R00
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50582401 (CHEMBL5081770) Show SMILES [H][C@@]12C[C@H](CO)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)CCCCCCN=[N+]=[N-] |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.0980	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at 3xHA tagged human CB1 receptor expressed in CHO-K1 cells assessed as reduction in forskolin-stimulated cAMP accumulation incubate...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02053 BindingDB Entry DOI: 10.7270/Q2TB1BSB
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM21278 (5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	0.110	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inverse agonist activity at human cannabinoid CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation af...				Eur J Med Chem 45: 1133-9 (2010) Article DOI: 10.1016/j.ejmech.2009.12.018 BindingDB Entry DOI: 10.7270/Q2K937P0
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM532438 (US11214548, Compound 634) Show SMILES CNC(=O)[C@@H](NC(=O)c1nn(c2[C@@H]3C[C@@H]3Cc12)-c1ccc(F)cc1F)C(C)(C)C Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.170	n/a	n/a	n/a	n/a
TBA					Assay Description Table D: Radioligand binding assays for human CB2 receptors were performed using two different agonist radioligands, [3H]CP55,940 and [3H]WIN55,212-2...				Citation and Details BindingDB Entry DOI: 10.7270/Q2BR8WC1
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50288369 (CHEMBL4172580 | US11472787, Compound 10,11-EDP-NA) Show SMILES CC\C=C/C\C=C/C\C=C/CC1OC1C\C=C/C\C=C/CCC(=O)NCCCO Show InChI InChI=1S/C25H39NO3/c1-2-3-4-5-6-7-8-11-14-18-23-24(29-23)19-15-12-9-10-13-16-20-25(28)26-21-17-22-27/h3-4,6-7,10-15,23-24,27H,2,5,8-9,16-22H2,1H3,(H,26,28)/b4-3-,7-6-,13-10-,14-11-,15-12-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	n/a	n/a	0.190	n/a	n/a	n/a	n/a
TBA					Assay Description Binding of the parent compounds to putative receptors CNR1 and CNR2 (cannabinoid receptors 1& 2) was measured by a Presto-Tango assay (FIG. 5A and FI...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QC06SQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50288369 (CHEMBL4172580 | US11472787, Compound 10,11-EDP-NA) Show SMILES CC\C=C/C\C=C/C\C=C/CC1OC1C\C=C/C\C=C/CCC(=O)NCCCO Show InChI InChI=1S/C25H39NO3/c1-2-3-4-5-6-7-8-11-14-18-23-24(29-23)19-15-12-9-10-13-16-20-25(28)26-21-17-22-27/h3-4,6-7,10-15,23-24,27H,2,5,8-9,16-22H2,1H3,(H,26,28)/b4-3-,7-6-,13-10-,14-11-,15-12-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.190	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at N-terminal FLAG-tagged human CB1 receptor transfected in human HTLA cells assessed as induction of beta-arrestin-recruitment afte...				J Med Chem 61: 5569-5579 (2018) Article DOI: 10.1021/acs.jmedchem.8b00243 BindingDB Entry DOI: 10.7270/Q2P84FDV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50072775 (2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...) Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	0.260	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Agonist activity at human recombinant CB1 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated intracellular cAMP level				J Med Chem 51: 5019-34 (2008) Article DOI: 10.1021/jm800463f BindingDB Entry DOI: 10.7270/Q2W096VS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50072775 (2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...) Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	0.280	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonist activity at human CB1 receptor expressed in HEK293 cells assessed as reversal of forskolin-evoked cAMP accumulation				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50072775 (2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...) Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	0.300	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human CB1 receptor expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay based Tango beta-arrestin recruitment...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01023 BindingDB Entry DOI: 10.7270/Q21N84WT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50267942 (1-(4-(3,5-dichlorophenylsulfonyl)piperazin-1-yl)-2...) Show SMILES CC(C(=O)N1CCN(CC1)S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1 Show InChI InChI=1S/C19H20Cl2N2O3S/c1-14(15-5-3-2-4-6-15)19(24)22-7-9-23(10-8-22)27(25,26)18-12-16(20)11-17(21)13-18/h2-6,11-14H,7-10H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.300	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inverse agonist activity at human recombinant CB1R expressed in CHO cells assessed as increase in forskolin-stimulated cAMP level				J Med Chem 52: 2550-8 (2009) Article DOI: 10.1021/jm900063x BindingDB Entry DOI: 10.7270/Q2028RF8
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50041002 (CHEMBL3354941) Show SMILES [H][C@]12C[C@@]1([H])c1c(C2)c(nn1Cc1ccc(F)cc1)C(=O)NC(C)(C)c1ccccc1 |r| Show InChI InChI=1S/C24H24FN3O/c1-24(2,17-6-4-3-5-7-17)26-23(29)21-20-13-16-12-19(16)22(20)28(27-21)14-15-8-10-18(25)11-9-15/h3-11,16,19H,12-14H2,1-2H3,(H,26,29)/t16-,19-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.300	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human recombinant CB1 receptor expressed in CHOK1 cells assessed as cAMP accumulation by HTRF method				Bioorg Med Chem Lett 25: 322-6 (2014) Article DOI: 10.1016/j.bmcl.2014.11.040 BindingDB Entry DOI: 10.7270/Q21J9CDS
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50582407 (CHEMBL5071417) Show SMILES [H][C@@]12C[C@H](CO)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C1(CCCCCCC#N)CCCC1 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.310	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at 3xHA tagged human CB1 receptor expressed in CHO-K1 cells assessed as reduction in forskolin-stimulated cAMP accumulation incubate...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02053 BindingDB Entry DOI: 10.7270/Q2TB1BSB
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50556535 (CHEMBL4782654) Show SMILES Cc1c(cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1)-c1ccccc1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.360	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human CB1R expressed in CHO cell membranes preincubated for 30 mins followed by GTPgammaS addition and measured after 90 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112858 BindingDB Entry DOI: 10.7270/Q2SQ943D
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50288368 (CHEMBL4161934 | US11472787, Compound 10,11-EDP-EA) Show SMILES CC\C=C/C\C=C/C\C=C/CC1OC1C\C=C/C\C=C/CCC(=O)NCCO Show InChI InChI=1S/C24H37NO3/c1-2-3-4-5-6-7-8-11-14-17-22-23(28-22)18-15-12-9-10-13-16-19-24(27)25-20-21-26/h3-4,6-7,10-15,22-23,26H,2,5,8-9,16-21H2,1H3,(H,25,27)/b4-3-,7-6-,13-10-,14-11-,15-12-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.430	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at N-terminal FLAG-tagged human CB1 receptor transfected in human HTLA cells assessed as induction of beta-arrestin-recruitment afte...				J Med Chem 61: 5569-5579 (2018) Article DOI: 10.1021/acs.jmedchem.8b00243 BindingDB Entry DOI: 10.7270/Q2P84FDV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50582405 (CHEMBL5074603) Show SMILES [H][C@@]12C[C@H](CO)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C1(CCCCCCCN=C=S)CCCC1 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.430	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at 3xHA tagged human CB1 receptor expressed in CHO-K1 cells assessed as reduction in forskolin-stimulated cAMP accumulation incubate...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02053 BindingDB Entry DOI: 10.7270/Q2TB1BSB
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50607229 (CHEMBL5219235) Show SMILES CC(C)(NC(=O)c1nn(CCCCCF)c2ccccc12)c1ccccc1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.430	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00969 BindingDB Entry DOI: 10.7270/Q2K35ZSQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50288368 (CHEMBL4161934 | US11472787, Compound 10,11-EDP-EA) Show SMILES CC\C=C/C\C=C/C\C=C/CC1OC1C\C=C/C\C=C/CCC(=O)NCCO Show InChI InChI=1S/C24H37NO3/c1-2-3-4-5-6-7-8-11-14-17-22-23(28-22)18-15-12-9-10-13-16-19-24(27)25-20-21-26/h3-4,6-7,10-15,22-23,26H,2,5,8-9,16-21H2,1H3,(H,25,27)/b4-3-,7-6-,13-10-,14-11-,15-12-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	n/a	n/a	0.430	n/a	n/a	n/a	n/a
TBA					Assay Description Binding of the parent compounds to putative receptors CNR1 and CNR2 (cannabinoid receptors 1& 2) was measured by a Presto-Tango assay (FIG. 5A and FI...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QC06SQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50072775 (2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...) Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	0.437	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Activity at hemagglutinin-tagged human CB1 receptor expressed in HEK293 cells assessed as effect on forskolin-induced cAMP accumulation in presence o...				J Med Chem 58: 5979-88 (2015) Article DOI: 10.1021/acs.jmedchem.5b00579 BindingDB Entry DOI: 10.7270/Q2PG1TG7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50267257 (4-(2-(4-(3,5-dichlorophenylsulfonyl)piperazin-1-yl...) Show SMILES Clc1cc(Cl)cc(c1)S(=O)(=O)N1CCN(CC1)C(=O)Cc1ccc(cc1)C#N Show InChI InChI=1S/C19H17Cl2N3O3S/c20-16-10-17(21)12-18(11-16)28(26,27)24-7-5-23(6-8-24)19(25)9-14-1-3-15(13-22)4-2-14/h1-4,10-12H,5-9H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.5	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inverse agonist activity at human recombinant CB1R expressed in CHO cells assessed as increase in forskolin-stimulated cAMP level				J Med Chem 52: 2550-8 (2009) Article DOI: 10.1021/jm900063x BindingDB Entry DOI: 10.7270/Q2028RF8
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50267543 (1-(4-(3,5-dichlorophenylsulfonyl)piperazin-1-yl)-3...) Show SMILES FC(F)(F)c1ccc(CCC(=O)N2CCN(CC2)S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 Show InChI InChI=1S/C20H19Cl2F3N2O3S/c21-16-11-17(22)13-18(12-16)31(29,30)27-9-7-26(8-10-27)19(28)6-3-14-1-4-15(5-2-14)20(23,24)25/h1-2,4-5,11-13H,3,6-10H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.5	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inverse agonist activity at human recombinant CB1R expressed in CHO cells assessed as increase in forskolin-stimulated cAMP level				J Med Chem 52: 2550-8 (2009) Article DOI: 10.1021/jm900063x BindingDB Entry DOI: 10.7270/Q2028RF8
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM143560 (US9682955, 58) Show SMILES COc1ccc(cc1)C(c1ccc(Cl)cc1)c1ccc2ncnc(NC3CCN(CC3)c3ccccc3)c2c1 Show InChI InChI=1S/C33H31ClN4O/c1-39-29-14-9-24(10-15-29)32(23-7-12-26(34)13-8-23)25-11-16-31-30(21-25)33(36-22-35-31)37-27-17-19-38(20-18-27)28-5-3-2-4-6-28/h2-16,21-22,27,32H,17-20H2,1H3,(H,35,36,37)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.5	n/a	n/a	n/a	27
Janssen Pharmaceutica NV US Patent					Assay Description The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...				US Patent US9682955 (2017) BindingDB Entry DOI: 10.7270/Q2707ZM3
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50267773 (CHEMBL489429 | cyclohexyl(4-(3,5-dichlorophenylsul...) Show SMILES Clc1cc(Cl)cc(c1)S(=O)(=O)N1CCN(CC1)C(=O)C1CCCCC1 Show InChI InChI=1S/C17H22Cl2N2O3S/c18-14-10-15(19)12-16(11-14)25(23,24)21-8-6-20(7-9-21)17(22)13-4-2-1-3-5-13/h10-13H,1-9H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.5	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inverse agonist activity at human recombinant CB1R expressed in CHO cells assessed as increase in forskolin-stimulated cAMP level				J Med Chem 52: 2550-8 (2009) Article DOI: 10.1021/jm900063x BindingDB Entry DOI: 10.7270/Q2028RF8
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50063927 (CHEMBL3400946) Show SMILES CC(C)(C)c1cc(NC(=O)[C@]2(C)CCCN2c2ccc(cn2)C(F)(F)F)no1 |r| Show InChI InChI=1S/C19H23F3N4O2/c1-17(2,3)13-10-14(25-28-13)24-16(27)18(4)8-5-9-26(18)15-7-6-12(11-23-15)19(20,21)22/h6-7,10-11H,5,8-9H2,1-4H3,(H,24,25,27)/t18-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.5	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins				Bioorg Med Chem Lett 25: 575-80 (2015) Article DOI: 10.1016/j.bmcl.2014.12.033 BindingDB Entry DOI: 10.7270/Q2222WGQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50267258 (1-(4-(3,5-dichlorophenylsulfonyl)piperazin-1-yl)-2...) Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCN(CC2)S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 Show InChI InChI=1S/C19H17Cl2F3N2O3S/c20-15-10-16(21)12-17(11-15)30(28,29)26-7-5-25(6-8-26)18(27)9-13-1-3-14(4-2-13)19(22,23)24/h1-4,10-12H,5-9H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.5	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inverse agonist activity at human recombinant CB1R expressed in CHO cells assessed as increase in forskolin-stimulated cAMP level				J Med Chem 52: 2550-8 (2009) Article DOI: 10.1021/jm900063x BindingDB Entry DOI: 10.7270/Q2028RF8
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50582404 (CHEMBL5092703) Show SMILES [H][C@@]12C[C@H](CO)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C1(CCCCCCN=C=S)CCCC1 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.520	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at 3xHA tagged human CB1 receptor expressed in CHO-K1 cells assessed as reduction in forskolin-stimulated cAMP accumulation incubate...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02053 BindingDB Entry DOI: 10.7270/Q2TB1BSB
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50573085 (CHEMBL4871528) Show SMILES [H][C@@]12CC[C@@]([H])(O1)c1c(C2)c(nn1-c1cnccn1)C(=O)N[C@H](CO)C(C)(C)C |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.560	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as increase in cAMP level incubated for 20 mins measured after 60 mins addi...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00331 BindingDB Entry DOI: 10.7270/Q2JH3R00
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50067498 ((6aS,10aS)-3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl...) Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@H]3CC(CO)=CC[C@@H]3C(C)(C)Oc2c1 |c:18| Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.600	n/a	n/a	n/a	n/a
Universit£ catholique de Louvain Curated by ChEMBL					Assay Description Activity at human CB1 receptor by [35S]GTP-gamma-S binding stimulation assay				J Med Chem 48: 7486-90 (2005) Article DOI: 10.1021/jm0503906 BindingDB Entry DOI: 10.7270/Q22N5338
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50267774 (CHEMBL523100 | cyclohexyl(4-(naphthalen-1-ylsulfon...) Show SMILES O=C(C1CCCCC1)N1CCN(CC1)S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C21H26N2O3S/c24-21(18-8-2-1-3-9-18)22-13-15-23(16-14-22)27(25,26)20-12-6-10-17-7-4-5-11-19(17)20/h4-7,10-12,18H,1-3,8-9,13-16H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.600	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inverse agonist activity at human recombinant CB1R expressed in CHO cells assessed as increase in forskolin-stimulated cAMP level				J Med Chem 52: 2550-8 (2009) Article DOI: 10.1021/jm900063x BindingDB Entry DOI: 10.7270/Q2028RF8
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50067499 ((6aR,10aR)-3(1,1-dimethylheptyl)-9-hydroxymethyl)-...) Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |r,c:18| Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.600	n/a	n/a	n/a	n/a
Universit£ catholique de Louvain Curated by ChEMBL					Assay Description Potency at human CB1 receptor in a [35S]GTP-gamma-S functional assay				J Med Chem 49: 872-82 (2006) Article DOI: 10.1021/jm050484f BindingDB Entry DOI: 10.7270/Q28916NK
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50267903 (CHEMBL525204 | cyclohexyl(2,2-dimethyl-4-(naphthal...) Show SMILES CC1(C)CN(CCN1C(=O)C1CCCCC1)S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C23H30N2O3S/c1-23(2)17-24(15-16-25(23)22(26)19-10-4-3-5-11-19)29(27,28)21-14-8-12-18-9-6-7-13-20(18)21/h6-9,12-14,19H,3-5,10-11,15-17H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.600	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inverse agonist activity at human recombinant CB1R expressed in CHO cells assessed as increase in forskolin-stimulated cAMP level				J Med Chem 52: 2550-8 (2009) Article DOI: 10.1021/jm900063x BindingDB Entry DOI: 10.7270/Q2028RF8
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM532441 (US11214548, Compound 673) Show SMILES CC(C)(C)NC(=O)c1nn(c2[C@@H]3C[C@@H]3Cc12)-c1cc(Br)ccn1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.644	n/a	n/a	n/a	n/a
TBA					Assay Description Table D: Radioligand binding assays for human CB2 receptors were performed using two different agonist radioligands, [3H]CP55,940 and [3H]WIN55,212-2...				Citation and Details BindingDB Entry DOI: 10.7270/Q2BR8WC1
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50590329 (CHEMBL5169682) Show SMILES CCCCn1nc(C(=O)N[C@H](C(N)=O)C(C)(C)C)c2ccccc12 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.670	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d1md00242b BindingDB Entry DOI: 10.7270/Q2G73JQJ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50590329 (CHEMBL5169682) Show SMILES CCCCn1nc(C(=O)N[C@H](C(N)=O)C(C)(C)C)c2ccccc12 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.676	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d1md00242b BindingDB Entry DOI: 10.7270/Q2G73JQJ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM29076 (ether-based lactam, 19e) Show SMILES CCC(F)(F)CN1CCOc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O Show InChI InChI=1S/C22H19Cl2F2N3O2/c1-2-22(25,26)13-28-11-12-31-20-18(21(28)30)27-29(17-6-4-3-5-16(17)24)19(20)14-7-9-15(23)10-8-14/h3-10H,2,11-13H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.40	-12.3	n/a	n/a	0.700	n/a	n/a	7.4	30
Pfizer					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 52: 2652-5 (2009) Article DOI: 10.1021/jm900255t BindingDB Entry DOI: 10.7270/Q2F47MGD
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50072775 (2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...) Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	0.700	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Agonist activity at human CB1 receptor transfected in CHO cell membranes by [35S]GTPgammaS binding assay				Eur J Med Chem 58: 30-43 (2012) Article DOI: 10.1016/j.ejmech.2012.09.035 BindingDB Entry DOI: 10.7270/Q2JD4XW2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM29070 (lactam-based compound, 12i) Show SMILES CC(F)(F)CN1CCc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O Show InChI InChI=1S/C21H17Cl2F2N3O/c1-21(24,25)12-27-11-10-15-18(20(27)29)26-28(17-5-3-2-4-16(17)23)19(15)13-6-8-14(22)9-7-13/h2-9H,10-12H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.700	-12.7	n/a	n/a	0.800	n/a	n/a	7.4	30
Pfizer					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 52: 2652-5 (2009) Article DOI: 10.1021/jm900255t BindingDB Entry DOI: 10.7270/Q2F47MGD
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM29075 (PF-514273) Show SMILES CC(F)(F)CN1CCOc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O Show InChI InChI=1S/C21H17Cl2F2N3O2/c1-21(24,25)12-27-10-11-30-19-17(20(27)29)26-28(16-5-3-2-4-15(16)23)18(19)13-6-8-14(22)9-7-13/h2-9H,10-12H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	1	-12.5	n/a	n/a	0.820	n/a	n/a	7.4	30
Pfizer					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 52: 2652-5 (2009) Article DOI: 10.1021/jm900255t BindingDB Entry DOI: 10.7270/Q2F47MGD
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50312599 (CHEMBL1093735 | N-Cyclohexyl-4-[(2,4-dichloropheny...) Show SMILES Cc1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C25H31Cl2N3O/c1-18-7-9-19(10-8-18)24(22-12-11-20(26)17-23(22)27)29-13-15-30(16-14-29)25(31)28-21-5-3-2-4-6-21/h7-12,17,21,24H,2-6,13-16H2,1H3,(H,28,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.870	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inverse agonist activity at human cannabinoid CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation af...				Eur J Med Chem 45: 1133-9 (2010) Article DOI: 10.1016/j.ejmech.2009.12.018 BindingDB Entry DOI: 10.7270/Q2K937P0
					More data for this Ligand-Target Pair

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