Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50048879   

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 1/2 (Rattus norvegicus (Rat)-Rattus norvegicus (rat))	BDBM50229939 (CHEMBL423481) Show SMILES [H][C@@](C)(CCCc1ccccc1)Oc1cc(O)c2c(N[C@@H](C)[C@]3([H])CC[C@@H](O)C[C@@]23[H])c1 Show InChI InChI=1S/C25H33NO3/c1-16(7-6-10-18-8-4-3-5-9-18)29-20-14-23-25(24(28)15-20)22-13-19(27)11-12-21(22)17(2)26-23/h3-5,8-9,14-17,19,21-22,26-28H,6-7,10-13H2,1-2H3/t16-,17+,19-,21+,22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Research Group Curated by ChEMBL					Assay Description Concentration required to displace 50% of 0.5 nM [3H](aminoalkyl)indole binding to cannabinoid receptor in rat cerebellum membranes				J Med Chem 35: 124-35 (1992) BindingDB Entry DOI: 10.7270/Q2SF2ZDZ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1/2 (Rattus norvegicus (Rat)-Rattus norvegicus (rat))	BDBM50229940 (CHEMBL286248) Show SMILES Cc1c(C(=O)c2ccc(Br)c3ccccc23)c2cccc3OCC(CN4CCOCC4)n1c23 Show InChI InChI=1S/C27H25BrN2O3/c1-17-25(27(31)21-9-10-23(28)20-6-3-2-5-19(20)21)22-7-4-8-24-26(22)30(17)18(16-33-24)15-29-11-13-32-14-12-29/h2-10,18H,11-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Research Group Curated by ChEMBL					Assay Description Concentration required to displace 50% of 0.5 nM [3H](aminoalkyl)indole binding to cannabinoid receptor in rat cerebellum membranes				J Med Chem 35: 124-35 (1992) BindingDB Entry DOI: 10.7270/Q2SF2ZDZ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1/2 (Rattus norvegicus (Rat)-Rattus norvegicus (rat))	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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	5.56	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Research Group Curated by ChEMBL					Assay Description Concentration required to displace 50% of 0.5 nM [3H](aminoalkyl)indole binding to cannabinoid receptor in rat cerebellum membranes				J Med Chem 35: 124-35 (1992) BindingDB Entry DOI: 10.7270/Q2SF2ZDZ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1/2 (Rattus norvegicus (Rat)-Rattus norvegicus (rat))	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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Research Group Curated by ChEMBL					Assay Description Concentration required to displace 50% of 0.5 nM [3H](aminoalkyl)indole binding to cannabinoid receptor in rat cerebellum membranes				J Med Chem 35: 124-35 (1992) BindingDB Entry DOI: 10.7270/Q2SF2ZDZ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1/2 (Rattus norvegicus (Rat)-Rattus norvegicus (rat))	BDBM50229943 (CHEMBL27388) Show SMILES O=C(c1cn2C(CN3CCOCC3)COc3cccc1c23)c1cccc2ccccc12 Show InChI InChI=1S/C26H24N2O3/c29-26(22-9-3-6-18-5-1-2-7-20(18)22)23-16-28-19(15-27-11-13-30-14-12-27)17-31-24-10-4-8-21(23)25(24)28/h1-10,16,19H,11-15,17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Research Group Curated by ChEMBL					Assay Description Concentration required to displace 50% of 0.5 nM [3H](aminoalkyl)indole binding to cannabinoid receptor in rat cerebellum membranes				J Med Chem 35: 124-35 (1992) BindingDB Entry DOI: 10.7270/Q2SF2ZDZ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1/2 (Rattus norvegicus (Rat)-Rattus norvegicus (rat))	BDBM50229941 (CHEMBL1744071) Show SMILES Cc1c(C(=O)c2cccc3c(Br)cc(Br)cc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H24Br2N2O3/c1-16-25(27(32)20-5-2-4-19-22(20)12-17(28)13-23(19)29)21-6-3-7-24-26(21)31(16)18(15-34-24)14-30-8-10-33-11-9-30/h2-7,12-13,18H,8-11,14-15H2,1H3/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Research Group Curated by ChEMBL					Assay Description Concentration required to displace 50% of 0.5 nM [3H](aminoalkyl)indole binding to cannabinoid receptor in rat cerebellum membranes				J Med Chem 35: 124-35 (1992) BindingDB Entry DOI: 10.7270/Q2SF2ZDZ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1/2 (Rattus norvegicus (Rat)-Rattus norvegicus (rat))	BDBM50229942 (CHEMBL343532) Show SMILES COc1ccc(cc1)C(=O)c1c(C)n2[C@H](CN3CCOCC3)COc3cccc1c23 Show InChI InChI=1S/C24H26N2O4/c1-16-22(24(27)17-6-8-19(28-2)9-7-17)20-4-3-5-21-23(20)26(16)18(15-30-21)14-25-10-12-29-13-11-25/h3-9,18H,10-15H2,1-2H3/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	106	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Research Group Curated by ChEMBL					Assay Description Concentration required to displace 50% of 0.5 nM [3H](aminoalkyl)indole binding to cannabinoid receptor in rat cerebellum membranes				J Med Chem 35: 124-35 (1992) BindingDB Entry DOI: 10.7270/Q2SF2ZDZ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1/2 (Rattus norvegicus (Rat)-Rattus norvegicus (rat))	BDBM50229935 (CHEMBL284678) Show SMILES Cc1c(C(=O)c2ccc3ncccc3c2)c2cccc3OCC(CN4CCOCC4)n1c23 Show InChI InChI=1S/C26H25N3O3/c1-17-24(26(30)19-7-8-22-18(14-19)4-3-9-27-22)21-5-2-6-23-25(21)29(17)20(16-32-23)15-28-10-12-31-13-11-28/h2-9,14,20H,10-13,15-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	133	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Research Group Curated by ChEMBL					Assay Description Concentration required to displace 50% of 0.5 nM [3H](aminoalkyl)indole binding to cannabinoid receptor in rat cerebellum membranes				J Med Chem 35: 124-35 (1992) BindingDB Entry DOI: 10.7270/Q2SF2ZDZ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1/2 (Rattus norvegicus (Rat)-Rattus norvegicus (rat))	BDBM50229934 (CHEMBL440651) Show SMILES COc1ccc(cc1)C(=O)c1c(C)n2C(CN3CCOCC3)COc3cccc1c23 Show InChI InChI=1S/C24H26N2O4/c1-16-22(24(27)17-6-8-19(28-2)9-7-17)20-4-3-5-21-23(20)26(16)18(15-30-21)14-25-10-12-29-13-11-25/h3-9,18H,10-15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	152	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Research Group Curated by ChEMBL					Assay Description Concentration required to displace 50% of 0.5 nM [3H](aminoalkyl)indole binding to cannabinoid receptor in rat cerebellum membranes				J Med Chem 35: 124-35 (1992) BindingDB Entry DOI: 10.7270/Q2SF2ZDZ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1/2 (Rattus norvegicus (Rat)-Rattus norvegicus (rat))	BDBM50229944 (CHEMBL25847) Show SMILES COc1ccc(cc1)C(=O)c1cn2C(CN3CCOCC3)COc3cccc1c23 Show InChI InChI=1S/C23H24N2O4/c1-27-18-7-5-16(6-8-18)23(26)20-14-25-17(13-24-9-11-28-12-10-24)15-29-21-4-2-3-19(20)22(21)25/h2-8,14,17H,9-13,15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	249	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Research Group Curated by ChEMBL					Assay Description Concentration required to displace 50% of 0.5 nM [3H](aminoalkyl)indole binding to cannabinoid receptor in rat cerebellum membranes				J Med Chem 35: 124-35 (1992) BindingDB Entry DOI: 10.7270/Q2SF2ZDZ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1/2 (Rattus norvegicus (Rat)-Rattus norvegicus (rat))	BDBM50229937 (CHEMBL280991) Show SMILES Cc1c(C(=O)c2ccccc2F)c2cccc3OCC(CN4CCOCC4)n1c23 Show InChI InChI=1S/C23H23FN2O3/c1-15-21(23(27)17-5-2-3-7-19(17)24)18-6-4-8-20-22(18)26(15)16(14-29-20)13-25-9-11-28-12-10-25/h2-8,16H,9-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Research Group Curated by ChEMBL					Assay Description Concentration required to displace 50% of 0.5 nM [3H](aminoalkyl)indole binding to cannabinoid receptor in rat cerebellum membranes				J Med Chem 35: 124-35 (1992) BindingDB Entry DOI: 10.7270/Q2SF2ZDZ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1/2 (Rattus norvegicus (Rat)-Rattus norvegicus (rat))	BDBM50008022 ((4-Methoxy-phenyl)-(3-morpholin-4-ylmethyl-2,3-dih...) Show SMILES COc1ccc(cc1)C(=O)c1c2CCC(CN3CCOCC3)n2c2ccccc12 Show InChI InChI=1S/C24H26N2O3/c1-28-19-9-6-17(7-10-19)24(27)23-20-4-2-3-5-21(20)26-18(8-11-22(23)26)16-25-12-14-29-15-13-25/h2-7,9-10,18H,8,11-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Research Group Curated by ChEMBL					Assay Description Concentration required to displace 50% of 0.5 nM [3H](aminoalkyl)indole binding to cannabinoid receptor in rat cerebellum membranes				J Med Chem 35: 124-35 (1992) BindingDB Entry DOI: 10.7270/Q2SF2ZDZ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1/2 (Rattus norvegicus (Rat)-Rattus norvegicus (rat))	BDBM50008029 ((4-Methoxy-phenyl)-[2-methyl-1-(2-morpholin-4-yl-e...) Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(CCN2CCOCC2)c2ccccc12 Show InChI InChI=1S/C23H26N2O3/c1-17-22(23(26)18-7-9-19(27-2)10-8-18)20-5-3-4-6-21(20)25(17)12-11-24-13-15-28-16-14-24/h3-10H,11-16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Research Group Curated by ChEMBL					Assay Description Concentration required to displace 50% of 0.5 nM [3H](aminoalkyl)indole binding to cannabinoid receptor in rat cerebellum membranes				J Med Chem 35: 124-35 (1992) BindingDB Entry DOI: 10.7270/Q2SF2ZDZ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1/2 (Rattus norvegicus (Rat)-Rattus norvegicus (rat))	BDBM50229938 (CHEMBL1592888) Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@H](CN4CCOCC4)n1c23 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-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Research Group Curated by ChEMBL					Assay Description Concentration required to displace 50% of 0.5 nM [3H](aminoalkyl)indole binding to cannabinoid receptor in rat cerebellum membranes				J Med Chem 35: 124-35 (1992) BindingDB Entry DOI: 10.7270/Q2SF2ZDZ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1/2 (Rattus norvegicus (Rat)-Rattus norvegicus (rat))	BDBM50229936 (CHEMBL1788279) Show SMILES COc1ccc(cc1)C(=O)c1c(C)n2[C@@H](CN3CCOCC3)COc3cccc1c23 |r| Show InChI InChI=1S/C24H26N2O4/c1-16-22(24(27)17-6-8-19(28-2)9-7-17)20-4-3-5-21-23(20)26(16)18(15-30-21)14-25-10-12-29-13-11-25/h3-9,18H,10-15H2,1-2H3/t18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Research Group Curated by ChEMBL					Assay Description Concentration required to displace 50% of 0.5 nM [3H](aminoalkyl)indole binding to cannabinoid receptor in rat cerebellum membranes				J Med Chem 35: 124-35 (1992) BindingDB Entry DOI: 10.7270/Q2SF2ZDZ
					More data for this Ligand-Target Pair