Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50014607   

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))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	22	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 transfected in CHO cells measured for 1.5 hrs by liquid scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00513 BindingDB Entry DOI: 10.7270/Q2251P0M
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	47	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 transfected in CHO cells measured for 1.5 hrs by liquid scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00513 BindingDB Entry DOI: 10.7270/Q2251P0M
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50577909 (CHEMBL4845760) Show SMILES [H][C@@]12C=C(C)CC[C@]1([H])C(C)(C)Oc1cc(CCCCC)cc(O)c21 |r,t:2| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	99	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 transfected in CHO cells measured for 1.5 hrs by liquid scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00513 BindingDB Entry DOI: 10.7270/Q2251P0M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50577909 (CHEMBL4845760) Show SMILES [H][C@@]12C=C(C)CC[C@]1([H])C(C)(C)Oc1cc(CCCCC)cc(O)c21 |r,t:2| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	228	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 transfected in CHO cells measured for 1.5 hrs by liquid scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00513 BindingDB Entry DOI: 10.7270/Q2251P0M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50577908 (CHEMBL4862731) Show SMILES [H][C@]12C=C(C)CC[C@@]1([H])C(C)(C)Oc1cc(CCCCC)cc(O)c21 |r,t:2| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.90E+3	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 transfected in CHO cells measured for 1.5 hrs by liquid scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00513 BindingDB Entry DOI: 10.7270/Q2251P0M
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50577908 (CHEMBL4862731) Show SMILES [H][C@]12C=C(C)CC[C@@]1([H])C(C)(C)Oc1cc(CCCCC)cc(O)c21 |r,t:2| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.75E+3	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 transfected in CHO cells measured for 1.5 hrs by liquid scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00513 BindingDB Entry DOI: 10.7270/Q2251P0M
					More data for this Ligand-Target Pair
Lysophosphatidylserine lipase ABHD12 (Homo sapiens (Human))	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	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ABHD12 transfected in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition measured after...				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00513 BindingDB Entry DOI: 10.7270/Q2251P0M
					More data for this Ligand-Target Pair
Lysophosphatidylserine lipase ABHD12 (Homo sapiens (Human))	BDBM50577909 (CHEMBL4845760) Show SMILES [H][C@@]12C=C(C)CC[C@]1([H])C(C)(C)Oc1cc(CCCCC)cc(O)c21 |r,t:2| Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ABHD12 transfected in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition measured after...				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00513 BindingDB Entry DOI: 10.7270/Q2251P0M
					More data for this Ligand-Target Pair
Lysophosphatidylserine lipase ABHD12 (Homo sapiens (Human))	BDBM50577908 (CHEMBL4862731) Show SMILES [H][C@]12C=C(C)CC[C@@]1([H])C(C)(C)Oc1cc(CCCCC)cc(O)c21 |r,t:2| Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.88E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ABHD12 transfected in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition measured after...				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00513 BindingDB Entry DOI: 10.7270/Q2251P0M
					More data for this Ligand-Target Pair
Monoacylglycerol lipase ABHD6 (Homo sapiens (Human))	BDBM50577908 (CHEMBL4862731) Show SMILES [H][C@]12C=C(C)CC[C@@]1([H])C(C)(C)Oc1cc(CCCCC)cc(O)c21 |r,t:2| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ABHD6 transfected in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition measured after ...				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00513 BindingDB Entry DOI: 10.7270/Q2251P0M
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50577909 (CHEMBL4845760) Show SMILES [H][C@@]12C=C(C)CC[C@]1([H])C(C)(C)Oc1cc(CCCCC)cc(O)c21 |r,t:2| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of FAAH (unknown origin) in human U-937 cells using [ethanolamine-1-3H]AEA as substrate preincubated for 30 mins followed by substrate add...				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00513 BindingDB Entry DOI: 10.7270/Q2251P0M
					More data for this Ligand-Target Pair
Monoacylglycerol lipase ABHD6 (Homo sapiens (Human))	BDBM50577909 (CHEMBL4845760) Show SMILES [H][C@@]12C=C(C)CC[C@]1([H])C(C)(C)Oc1cc(CCCCC)cc(O)c21 |r,t:2| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ABHD6 transfected in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition measured after ...				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00513 BindingDB Entry DOI: 10.7270/Q2251P0M
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	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 antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of FAAH (unknown origin) in human U-937 cells using [ethanolamine-1-3H]AEA as substrate preincubated for 30 mins followed by substrate add...				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00513 BindingDB Entry DOI: 10.7270/Q2251P0M
					More data for this Ligand-Target Pair
Monoacylglycerol lipase ABHD6 (Homo sapiens (Human))	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	n/a	n/a	4.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ABHD6 transfected in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition measured after ...				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00513 BindingDB Entry DOI: 10.7270/Q2251P0M
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50577908 (CHEMBL4862731) Show SMILES [H][C@]12C=C(C)CC[C@@]1([H])C(C)(C)Oc1cc(CCCCC)cc(O)c21 |r,t:2| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of FAAH (unknown origin) in human U-937 cells using [ethanolamine-1-3H]AEA as substrate preincubated for 30 mins followed by substrate add...				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00513 BindingDB Entry DOI: 10.7270/Q2251P0M
					More data for this Ligand-Target Pair
Monoglyceride lipase (Homo sapiens (Human))	BDBM50577909 (CHEMBL4845760) Show SMILES [H][C@@]12C=C(C)CC[C@]1([H])C(C)(C)Oc1cc(CCCCC)cc(O)c21 |r,t:2| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MAGL (unknown origin) in human U-937 cells using [ethanolamine-1-3H]AEA as substrate preincubated for 30 mins followed by substrate add...				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00513 BindingDB Entry DOI: 10.7270/Q2251P0M
					More data for this Ligand-Target Pair
Monoglyceride lipase (Homo sapiens (Human))	BDBM50577908 (CHEMBL4862731) Show SMILES [H][C@]12C=C(C)CC[C@@]1([H])C(C)(C)Oc1cc(CCCCC)cc(O)c21 |r,t:2| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MAGL (unknown origin) in human U-937 cells using [ethanolamine-1-3H]AEA as substrate preincubated for 30 mins followed by substrate add...				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00513 BindingDB Entry DOI: 10.7270/Q2251P0M
					More data for this Ligand-Target Pair
Monoglyceride lipase (Homo sapiens (Human))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MAGL (unknown origin) in human U-937 cells using [ethanolamine-1-3H]AEA as substrate preincubated for 30 mins followed by substrate add...				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00513 BindingDB Entry DOI: 10.7270/Q2251P0M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50577909 (CHEMBL4845760) Show SMILES [H][C@@]12C=C(C)CC[C@]1([H])C(C)(C)Oc1cc(CCCCC)cc(O)c21 |r,t:2| 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	552	n/a	n/a	n/a	n/a
TBA					Assay Description Partial agonist activity at human CB1 receptor transfected in CHO cells incubated for 90 mins by scintillation counting based [35S]GTP-gamma-S-bindin...				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00513 BindingDB Entry DOI: 10.7270/Q2251P0M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50577908 (CHEMBL4862731) Show SMILES [H][C@]12C=C(C)CC[C@@]1([H])C(C)(C)Oc1cc(CCCCC)cc(O)c21 |r,t:2| 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	>1.00E+4	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human CB1 receptor transfected in CHO cells incubated for 90 mins by scintillation counting based [35S]GTP-gamma-S-binding assay				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00513 BindingDB Entry DOI: 10.7270/Q2251P0M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	43	n/a	n/a	n/a	n/a
TBA					Assay Description Partial agonist activity at human CB1 receptor transfected in CHO cells incubated for 90 mins by scintillation counting based [35S]GTP-gamma-S-bindin...				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00513 BindingDB Entry DOI: 10.7270/Q2251P0M
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50577908 (CHEMBL4862731) Show SMILES [H][C@]12C=C(C)CC[C@@]1([H])C(C)(C)Oc1cc(CCCCC)cc(O)c21 |r,t:2| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human CB2 receptor transfected in CHO cells incubated for 90 mins by scintillation counting based [35S]GTP-gamma-S-binding assay				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00513 BindingDB Entry DOI: 10.7270/Q2251P0M
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
TBA					Assay Description Partial agonist activity at human CB2 receptor transfected in CHO cells incubated for 90 mins by scintillation counting based [35S]GTP-gamma-S-bindin...				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00513 BindingDB Entry DOI: 10.7270/Q2251P0M
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50577909 (CHEMBL4845760) Show SMILES [H][C@@]12C=C(C)CC[C@]1([H])C(C)(C)Oc1cc(CCCCC)cc(O)c21 |r,t:2| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	119	n/a	n/a	n/a	n/a
TBA					Assay Description Partial agonist activity at human CB2 receptor transfected in CHO cells incubated for 90 mins by scintillation counting based [35S]GTP-gamma-S-bindin...				Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00513 BindingDB Entry DOI: 10.7270/Q2251P0M
					More data for this Ligand-Target Pair