Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50511105'   

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 1 (Homo sapiens (Human))	BDBM50511105 (GWP-42004 | Gwp42004 | O-4394 | THCV | Tetrahydroc...) Show SMILES [H][C@@]12C=C(C)CC[C@@]1([H])C(C)(C)Oc1cc(CCC)cc(O)c21 |r,t:2| Show InChI InChI=1S/C19H26O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h9-11,14-15,20H,5-8H2,1-4H3/t14-,15-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB 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]-CP-55,940 from recombinant human CB1R expressed in HEK293 cell membranes after 90 mins				Citation and Details Article DOI: 10.1021/acs.jnatprod.9b00831 BindingDB Entry DOI: 10.7270/Q2639T9W
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50511105 (GWP-42004 | Gwp42004 | O-4394 | THCV | Tetrahydroc...) Show SMILES [H][C@@]12C=C(C)CC[C@@]1([H])C(C)(C)Oc1cc(CCC)cc(O)c21 |r,t:2| Show InChI InChI=1S/C19H26O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h9-11,14-15,20H,5-8H2,1-4H3/t14-,15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from CB1 receptor in mouse whole brain membrane measured after 60 mins by liquid scintillation counting method				J Nat Prod 82: 636-646 (2019) Article DOI: 10.1021/acs.jnatprod.8b00874 BindingDB Entry DOI: 10.7270/Q2P55RZ3
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50511105 (GWP-42004 | Gwp42004 | O-4394 | THCV | Tetrahydroc...) Show SMILES [H][C@@]12C=C(C)CC[C@@]1([H])C(C)(C)Oc1cc(CCC)cc(O)c21 |r,t:2| Show InChI InChI=1S/C19H26O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h9-11,14-15,20H,5-8H2,1-4H3/t14-,15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00965 BindingDB Entry DOI: 10.7270/Q2057KWP
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50511105 (GWP-42004 | Gwp42004 | O-4394 | THCV | Tetrahydroc...) Show SMILES [H][C@@]12C=C(C)CC[C@@]1([H])C(C)(C)Oc1cc(CCC)cc(O)c21 |r,t:2| Show InChI InChI=1S/C19H26O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h9-11,14-15,20H,5-8H2,1-4H3/t14-,15-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Binding affinity to human CB1 receptor				J Nat Prod 83: 88-98 (2020) Article DOI: 10.1021/acs.jnatprod.9b00876 BindingDB Entry DOI: 10.7270/Q2P272FT
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50511105 (GWP-42004 | Gwp42004 | O-4394 | THCV | Tetrahydroc...) Show SMILES [H][C@@]12C=C(C)CC[C@@]1([H])C(C)(C)Oc1cc(CCC)cc(O)c21 |r,t:2| Show InChI InChI=1S/C19H26O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h9-11,14-15,20H,5-8H2,1-4H3/t14-,15-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00965 BindingDB Entry DOI: 10.7270/Q2057KWP
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50511105 (GWP-42004 | Gwp42004 | O-4394 | THCV | Tetrahydroc...) Show SMILES [H][C@@]12C=C(C)CC[C@@]1([H])C(C)(C)Oc1cc(CCC)cc(O)c21 |r,t:2| Show InChI InChI=1S/C19H26O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h9-11,14-15,20H,5-8H2,1-4H3/t14-,15-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-CP-55,940 from recombinant human CB1R expressed in HEK293 cell membranes after 90 mins				Citation and Details Article DOI: 10.1021/acs.jnatprod.9b00831 BindingDB Entry DOI: 10.7270/Q2639T9W
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50511105 (GWP-42004 | Gwp42004 | O-4394 | THCV | Tetrahydroc...) Show SMILES [H][C@@]12C=C(C)CC[C@@]1([H])C(C)(C)Oc1cc(CCC)cc(O)c21 |r,t:2| Show InChI InChI=1S/C19H26O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h9-11,14-15,20H,5-8H2,1-4H3/t14-,15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.27E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00965 BindingDB Entry DOI: 10.7270/Q2057KWP
					More data for this Ligand-Target Pair