Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50027330   

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 (MOUSE)	BDBM50264236 ((6aR-trans)-3-(exo-1',7',7'-Trimethylbicyclo[2.2.1...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C |r,t:1,THB:11:18:21.22:25| Show InChI InChI=1S/C26H36O2/c1-15-7-8-19-18(11-15)23-21(27)12-16(13-22(23)28-25(19,4)5)20-14-17-9-10-26(20,6)24(17,2)3/h7,12-13,17-20,27H,8-11,14H2,1-6H3/t17-,18+,19+,20-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from CB2 receptor in mouse spleen membrane				J Med Chem 51: 6393-9 (2008) Article DOI: 10.1021/jm8005299 BindingDB Entry DOI: 10.7270/Q2PV6K6F
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50169951 ((6aR,10aR)-3-Adamantan-1-yl-6,6,9-trimethyl-6a,7,1...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C12CC3CC(CC(C3)C1)C2 |r,t:1,TLB:11:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,11:18:21:25.24.23,26:18:21:25.24.23,26:24:21:27.19.18| Show InChI InChI=1S/C26H34O2/c1-15-4-5-21-20(6-15)24-22(27)10-19(11-23(24)28-25(21,2)3)26-12-16-7-17(13-26)9-18(8-16)14-26/h4,10-11,16-18,20-21,27H,5-9,12-14H2,1-3H3/t16?,17?,18?,20-,21-,26?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from CB1 receptor in rat brain synaptosome membrane				J Med Chem 51: 6393-9 (2008) Article DOI: 10.1021/jm8005299 BindingDB Entry DOI: 10.7270/Q2PV6K6F
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50264146 ((6aR-trans)-3-(endo-1',7',7'-Trimethylbicyclo[2.2....) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)[C@H]1C[C@@H]2CC[C@]1(C)C2(C)C |r,t:1,THB:11:18:21.22:25| Show InChI InChI=1S/C26H36O2/c1-15-7-8-19-18(11-15)23-21(27)12-16(13-22(23)28-25(19,4)5)20-14-17-9-10-26(20,6)24(17,2)3/h7,12-13,17-20,27H,8-11,14H2,1-6H3/t17-,18+,19+,20+,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from CB2 receptor in mouse spleen membrane				J Med Chem 51: 6393-9 (2008) Article DOI: 10.1021/jm8005299 BindingDB Entry DOI: 10.7270/Q2PV6K6F
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50264146 ((6aR-trans)-3-(endo-1',7',7'-Trimethylbicyclo[2.2....) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)[C@H]1C[C@@H]2CC[C@]1(C)C2(C)C |r,t:1,THB:11:18:21.22:25| Show InChI InChI=1S/C26H36O2/c1-15-7-8-19-18(11-15)23-21(27)12-16(13-22(23)28-25(19,4)5)20-14-17-9-10-26(20,6)24(17,2)3/h7,12-13,17-20,27H,8-11,14H2,1-6H3/t17-,18+,19+,20+,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from CB1 receptor in rat brain synaptosome membrane				J Med Chem 51: 6393-9 (2008) Article DOI: 10.1021/jm8005299 BindingDB Entry DOI: 10.7270/Q2PV6K6F
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50264237 ((6aR-trans)-3-(endo-1',7',7'-Trimethylbicyclo[2.2....) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)c(C[C@H]3C[C@@H]4CC[C@]3(C)C4(C)C)ccc1OC2(C)C |r,t:1,THB:11:12:15.16:19| Show InChI InChI=1S/C27H38O2/c1-16-7-9-21-20(13-16)23-22(29-26(21,4)5)10-8-17(24(23)28)14-19-15-18-11-12-27(19,6)25(18,2)3/h7-8,10,18-21,28H,9,11-15H2,1-6H3/t18-,19-,20+,21+,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from CB2 receptor in mouse spleen membrane				J Med Chem 51: 6393-9 (2008) Article DOI: 10.1021/jm8005299 BindingDB Entry DOI: 10.7270/Q2PV6K6F
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50264237 ((6aR-trans)-3-(endo-1',7',7'-Trimethylbicyclo[2.2....) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)c(C[C@H]3C[C@@H]4CC[C@]3(C)C4(C)C)ccc1OC2(C)C |r,t:1,THB:11:12:15.16:19| Show InChI InChI=1S/C27H38O2/c1-16-7-9-21-20(13-16)23-22(29-26(21,4)5)10-8-17(24(23)28)14-19-15-18-11-12-27(19,6)25(18,2)3/h7-8,10,18-21,28H,9,11-15H2,1-6H3/t18-,19-,20+,21+,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from CB1 receptor in rat brain synaptosome membrane				J Med Chem 51: 6393-9 (2008) Article DOI: 10.1021/jm8005299 BindingDB Entry DOI: 10.7270/Q2PV6K6F
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50067734 ((-)-(6aR-trans)-6,6,9-trimethyl-3-pentyl-6a,7,10,1...) Show SMILES CCCCCc1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:13| 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/h9,12-13,16-17,22H,5-8,10-11H2,1-4H3/t16-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	39.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from CB2 receptor in mouse spleen membrane				J Med Chem 51: 6393-9 (2008) Article DOI: 10.1021/jm8005299 BindingDB Entry DOI: 10.7270/Q2PV6K6F
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50067734 ((-)-(6aR-trans)-6,6,9-trimethyl-3-pentyl-6a,7,10,1...) Show SMILES CCCCCc1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:13| 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/h9,12-13,16-17,22H,5-8,10-11H2,1-4H3/t16-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	47.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from CB1 receptor in rat brain synaptosome membrane				J Med Chem 51: 6393-9 (2008) Article DOI: 10.1021/jm8005299 BindingDB Entry DOI: 10.7270/Q2PV6K6F
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50264238 ((6aR-trans)-3-(exo-1',7',7'-Trimethylbicyclo[2.2.1...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)c(C[C@@H]3C[C@@H]4CC[C@]3(C)C4(C)C)ccc1OC2(C)C |r,t:1,THB:11:12:15.16:19| Show InChI InChI=1S/C27H38O2/c1-16-7-9-21-20(13-16)23-22(29-26(21,4)5)10-8-17(24(23)28)14-19-15-18-11-12-27(19,6)25(18,2)3/h7-8,10,18-21,28H,9,11-15H2,1-6H3/t18-,19+,20+,21+,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from CB1 receptor in rat brain synaptosome membrane				J Med Chem 51: 6393-9 (2008) Article DOI: 10.1021/jm8005299 BindingDB Entry DOI: 10.7270/Q2PV6K6F
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50264238 ((6aR-trans)-3-(exo-1',7',7'-Trimethylbicyclo[2.2.1...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)c(C[C@@H]3C[C@@H]4CC[C@]3(C)C4(C)C)ccc1OC2(C)C |r,t:1,THB:11:12:15.16:19| Show InChI InChI=1S/C27H38O2/c1-16-7-9-21-20(13-16)23-22(29-26(21,4)5)10-8-17(24(23)28)14-19-15-18-11-12-27(19,6)25(18,2)3/h7-8,10,18-21,28H,9,11-15H2,1-6H3/t18-,19+,20+,21+,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from CB2 receptor in mouse spleen membrane				J Med Chem 51: 6393-9 (2008) Article DOI: 10.1021/jm8005299 BindingDB Entry DOI: 10.7270/Q2PV6K6F
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50169951 ((6aR,10aR)-3-Adamantan-1-yl-6,6,9-trimethyl-6a,7,1...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C12CC3CC(CC(C3)C1)C2 |r,t:1,TLB:11:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,11:18:21:25.24.23,26:18:21:25.24.23,26:24:21:27.19.18| Show InChI InChI=1S/C26H34O2/c1-15-4-5-21-20(6-15)24-22(27)10-19(11-23(24)28-25(21,2)3)26-12-16-7-17(13-26)9-18(8-16)14-26/h4,10-11,16-18,20-21,27H,5-9,12-14H2,1-3H3/t16?,17?,18?,20-,21-,26?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from CB2 receptor in mouse spleen membrane				J Med Chem 51: 6393-9 (2008) Article DOI: 10.1021/jm8005299 BindingDB Entry DOI: 10.7270/Q2PV6K6F
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50264236 ((6aR-trans)-3-(exo-1',7',7'-Trimethylbicyclo[2.2.1...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C |r,t:1,THB:11:18:21.22:25| Show InChI InChI=1S/C26H36O2/c1-15-7-8-19-18(11-15)23-21(27)12-16(13-22(23)28-25(19,4)5)20-14-17-9-10-26(20,6)24(17,2)3/h7,12-13,17-20,27H,8-11,14H2,1-6H3/t17-,18+,19+,20-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from CB1 receptor in rat brain synaptosome membrane				J Med Chem 51: 6393-9 (2008) Article DOI: 10.1021/jm8005299 BindingDB Entry DOI: 10.7270/Q2PV6K6F
					More data for this Ligand-Target Pair