Compile Data Set for Download or QSAR

Found 57 hits with Last Name = 'jolly' and Initial = 'sm'   

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))	BDBM50347380 (CHEMBL1801350) Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1cncc(Br)c1)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r| Show InChI InChI=1S/C25H20BrClFN5O2/c1-14(30-24(35)25(8-9-25)31-23(34)15-10-16(26)13-29-12-15)18-7-6-17(11-20(18)28)33-21-5-3-2-4-19(21)22(27)32-33/h2-7,10-14H,8-9H2,1H3,(H,30,35)(H,31,34)/t14-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of radioligand from human CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 7011-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.121 BindingDB Entry DOI: 10.7270/Q2KS6RX9
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50347351 (CHEMBL1801352) Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1cncnc1)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r| Show InChI InChI=1S/C24H20ClFN6O2/c1-14(29-23(34)24(8-9-24)30-22(33)15-11-27-13-28-12-15)17-7-6-16(10-19(17)26)32-20-5-3-2-4-18(20)21(25)31-32/h2-7,10-14H,8-9H2,1H3,(H,29,34)(H,30,33)/t14-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of radioligand from human CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 7011-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.121 BindingDB Entry DOI: 10.7270/Q2KS6RX9
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50347379 (CHEMBL1801349) Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1cncc(Cl)c1)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r| Show InChI InChI=1S/C25H20Cl2FN5O2/c1-14(30-24(35)25(8-9-25)31-23(34)15-10-16(26)13-29-12-15)18-7-6-17(11-20(18)28)33-21-5-3-2-4-19(21)22(27)32-33/h2-7,10-14H,8-9H2,1H3,(H,30,35)(H,31,34)/t14-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of radioligand from human CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 7011-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.121 BindingDB Entry DOI: 10.7270/Q2KS6RX9
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50347370 (CHEMBL1801087) Show SMILES COc1ncc(s1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r| Show InChI InChI=1S/C24H21ClFN5O3S/c1-13(28-22(33)24(9-10-24)29-21(32)19-12-27-23(34-2)35-19)15-8-7-14(11-17(15)26)31-18-6-4-3-5-16(18)20(25)30-31/h3-8,11-13H,9-10H2,1-2H3,(H,28,33)(H,29,32)/t13-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of radioligand from human CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 7011-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.121 BindingDB Entry DOI: 10.7270/Q2KS6RX9
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50347376 (CHEMBL1801346) Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1cncc(O)c1)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r| Show InChI InChI=1S/C25H21ClFN5O3/c1-14(29-24(35)25(8-9-25)30-23(34)15-10-17(33)13-28-12-15)18-7-6-16(11-20(18)27)32-21-5-3-2-4-19(21)22(26)31-32/h2-7,10-14,33H,8-9H2,1H3,(H,29,35)(H,30,34)/t14-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of radioligand from human CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 7011-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.121 BindingDB Entry DOI: 10.7270/Q2KS6RX9
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50347378 (CHEMBL1801348) Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1cncc(F)c1)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r| Show InChI InChI=1S/C25H20ClF2N5O2/c1-14(30-24(35)25(8-9-25)31-23(34)15-10-16(27)13-29-12-15)18-7-6-17(11-20(18)28)33-21-5-3-2-4-19(21)22(26)32-33/h2-7,10-14H,8-9H2,1H3,(H,30,35)(H,31,34)/t14-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of radioligand from human CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 7011-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.121 BindingDB Entry DOI: 10.7270/Q2KS6RX9
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50347373 (CHEMBL1801341) Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1cn[nH]c1)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r| Show InChI InChI=1S/C23H20ClFN6O2/c1-13(28-22(33)23(8-9-23)29-21(32)14-11-26-27-12-14)16-7-6-15(10-18(16)25)31-19-5-3-2-4-17(19)20(24)30-31/h2-7,10-13H,8-9H2,1H3,(H,26,27)(H,28,33)(H,29,32)/t13-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of radioligand from human CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 7011-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.121 BindingDB Entry DOI: 10.7270/Q2KS6RX9
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50347375 (CHEMBL1801345) Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1cncc(C)c1)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r| Show InChI InChI=1S/C26H23ClFN5O2/c1-15-11-17(14-29-13-15)24(34)31-26(9-10-26)25(35)30-16(2)19-8-7-18(12-21(19)28)33-22-6-4-3-5-20(22)23(27)32-33/h3-8,11-14,16H,9-10H2,1-2H3,(H,30,35)(H,31,34)/t16-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of radioligand from human CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 7011-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.121 BindingDB Entry DOI: 10.7270/Q2KS6RX9
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50347383 (CHEMBL1801344) Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1ccc(Br)nc1)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r| Show InChI InChI=1S/C25H20BrClFN5O2/c1-14(30-24(35)25(10-11-25)31-23(34)15-6-9-21(26)29-13-15)17-8-7-16(12-19(17)28)33-20-5-3-2-4-18(20)22(27)32-33/h2-9,12-14H,10-11H2,1H3,(H,30,35)(H,31,34)/t14-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of radioligand from human CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 7011-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.121 BindingDB Entry DOI: 10.7270/Q2KS6RX9
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50347377 (CHEMBL1801347) Show SMILES COc1cncc(c1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r| Show InChI InChI=1S/C26H23ClFN5O3/c1-15(30-25(35)26(9-10-26)31-24(34)16-11-18(36-2)14-29-13-16)19-8-7-17(12-21(19)28)33-22-6-4-3-5-20(22)23(27)32-33/h3-8,11-15H,9-10H2,1-2H3,(H,30,35)(H,31,34)/t15-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of radioligand from human CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 7011-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.121 BindingDB Entry DOI: 10.7270/Q2KS6RX9
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50347369 (CHEMBL1801086) Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1cncs1)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r| Show InChI InChI=1S/C23H19ClFN5O2S/c1-13(27-22(32)23(8-9-23)28-21(31)19-11-26-12-33-19)15-7-6-14(10-17(15)25)30-18-5-3-2-4-16(18)20(24)29-30/h2-7,10-13H,8-9H2,1H3,(H,27,32)(H,28,31)/t13-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of radioligand from human CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 7011-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.121 BindingDB Entry DOI: 10.7270/Q2KS6RX9
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50347381 (CHEMBL1801351) Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1ccnnc1)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r| Show InChI InChI=1S/C24H20ClFN6O2/c1-14(29-23(34)24(9-10-24)30-22(33)15-8-11-27-28-13-15)17-7-6-16(12-19(17)26)32-20-5-3-2-4-18(20)21(25)31-32/h2-8,11-14H,9-10H2,1H3,(H,29,34)(H,30,33)/t14-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of radioligand from human CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 7011-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.121 BindingDB Entry DOI: 10.7270/Q2KS6RX9
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50347363 (CHEMBL1801085) Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r| Show InChI InChI=1S/C24H21ClFN5O4/c1-13(27-23(33)24(9-10-24)28-22(32)19-12-20(34-2)30-35-19)15-8-7-14(11-17(15)26)31-18-6-4-3-5-16(18)21(25)29-31/h3-8,11-13H,9-10H2,1-2H3,(H,27,33)(H,28,32)/t13-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of radioligand from human CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 7011-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.121 BindingDB Entry DOI: 10.7270/Q2KS6RX9
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50347372 (CHEMBL1801340) Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1snnc1C)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r| Show InChI InChI=1S/C23H20ClFN6O2S/c1-12(26-22(33)23(9-10-23)27-21(32)19-13(2)28-30-34-19)15-8-7-14(11-17(15)25)31-18-6-4-3-5-16(18)20(24)29-31/h3-8,11-12H,9-10H2,1-2H3,(H,26,33)(H,27,32)/t12-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of radioligand from human CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 7011-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.121 BindingDB Entry DOI: 10.7270/Q2KS6RX9
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50347359 (CHEMBL1801076) Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1nc(Br)c2ccccc12 |r| Show InChI InChI=1S/C24H21BrFN5O4/c1-13(27-23(33)24(9-10-24)28-22(32)19-12-20(34-2)30-35-19)15-8-7-14(11-17(15)26)31-18-6-4-3-5-16(18)21(25)29-31/h3-8,11-13H,9-10H2,1-2H3,(H,27,33)(H,28,32)/t13-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of radioligand from human CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 7011-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.121 BindingDB Entry DOI: 10.7270/Q2KS6RX9
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50347353 (CHEMBL1801354) Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1cncc(Cl)n1)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r| Show InChI InChI=1S/C24H19Cl2FN6O2/c1-13(29-23(35)24(8-9-24)31-22(34)18-11-28-12-20(25)30-18)15-7-6-14(10-17(15)27)33-19-5-3-2-4-16(19)21(26)32-33/h2-7,10-13H,8-9H2,1H3,(H,29,35)(H,31,34)/t13-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of radioligand from human CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 7011-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.121 BindingDB Entry DOI: 10.7270/Q2KS6RX9
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50347355 (CHEMBL1801072) Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1nc(C)c2ccccc12 |r| Show InChI InChI=1S/C25H24FN5O4/c1-14(27-24(33)25(10-11-25)28-23(32)21-13-22(34-3)30-35-21)17-9-8-16(12-19(17)26)31-20-7-5-4-6-18(20)15(2)29-31/h4-9,12-14H,10-11H2,1-3H3,(H,27,33)(H,28,32)/t14-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of radioligand from human CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 7011-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.121 BindingDB Entry DOI: 10.7270/Q2KS6RX9
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50347382 (CHEMBL1801343) Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1ccc(C)nc1)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r| Show InChI InChI=1S/C26H23ClFN5O2/c1-15-7-8-17(14-29-15)24(34)31-26(11-12-26)25(35)30-16(2)19-10-9-18(13-21(19)28)33-22-6-4-3-5-20(22)23(27)32-33/h3-10,13-14,16H,11-12H2,1-2H3,(H,30,35)(H,31,34)/t16-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of radioligand from human CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 7011-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.121 BindingDB Entry DOI: 10.7270/Q2KS6RX9
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50347374 (CHEMBL1801342) Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1cccnc1)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r| Show InChI InChI=1S/C25H21ClFN5O2/c1-15(29-24(34)25(10-11-25)30-23(33)16-5-4-12-28-14-16)18-9-8-17(13-20(18)27)32-21-7-3-2-6-19(21)22(26)31-32/h2-9,12-15H,10-11H2,1H3,(H,29,34)(H,30,33)/t15-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of radioligand from human CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 7011-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.121 BindingDB Entry DOI: 10.7270/Q2KS6RX9
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50202419 (3,3'-Difluoro-4'-({[1-(2,2,2-trifluoro-acetylamino...) Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)C2(CC2)NC(=O)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C21H17F5N2O4/c1-32-17(29)16-13(3-2-4-14(16)22)11-5-6-12(15(23)9-11)10-27-18(30)20(7-8-20)28-19(31)21(24,25)26/h2-6,9H,7-8,10H2,1H3,(H,27,30)(H,28,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of radioligand from human CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 7011-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.121 BindingDB Entry DOI: 10.7270/Q2KS6RX9
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50347362 (CHEMBL1801079) Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1nc(C#N)c2ccccc12 |r| Show InChI InChI=1S/C25H21FN6O4/c1-14(28-24(34)25(9-10-25)29-23(33)21-12-22(35-2)31-36-21)16-8-7-15(11-18(16)26)32-20-6-4-3-5-17(20)19(13-27)30-32/h3-8,11-12,14H,9-10H2,1-2H3,(H,28,34)(H,29,33)/t14-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of radioligand from human CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 7011-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.121 BindingDB Entry DOI: 10.7270/Q2KS6RX9
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50347371 (CHEMBL1801339) Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1scnc1C)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r| Show InChI InChI=1S/C24H21ClFN5O2S/c1-13(28-23(33)24(9-10-24)29-22(32)20-14(2)27-12-34-20)16-8-7-15(11-18(16)26)31-19-6-4-3-5-17(19)21(25)30-31/h3-8,11-13H,9-10H2,1-2H3,(H,28,33)(H,29,32)/t13-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of radioligand from human CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 7011-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.121 BindingDB Entry DOI: 10.7270/Q2KS6RX9
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50347368 (CHEMBL1801084) Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1nc(C)c2CCCCc12 |r| Show InChI InChI=1S/C25H28FN5O4/c1-14(27-24(33)25(10-11-25)28-23(32)21-13-22(34-3)30-35-21)17-9-8-16(12-19(17)26)31-20-7-5-4-6-18(20)15(2)29-31/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,27,33)(H,28,32)/t14-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of radioligand from human CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 7011-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.121 BindingDB Entry DOI: 10.7270/Q2KS6RX9
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50347350 (CHEMBL1801355) Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)C(F)(F)F)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r| Show InChI InChI=1S/C21H17ClF4N4O2/c1-11(27-18(31)20(8-9-20)28-19(32)21(24,25)26)13-7-6-12(10-15(13)23)30-16-5-3-2-4-14(16)17(22)29-30/h2-7,10-11H,8-9H2,1H3,(H,27,31)(H,28,32)/t11-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of radioligand from human CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 7011-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.121 BindingDB Entry DOI: 10.7270/Q2KS6RX9
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50347354 (CHEMBL1801163) Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1ncc2ccccc12 |r| Show InChI InChI=1S/C24H22FN5O4/c1-14(27-23(32)24(9-10-24)28-22(31)20-12-21(33-2)29-34-20)17-8-7-16(11-18(17)25)30-19-6-4-3-5-15(19)13-26-30/h3-8,11-14H,9-10H2,1-2H3,(H,27,32)(H,28,31)/t14-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of radioligand from human CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 7011-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.121 BindingDB Entry DOI: 10.7270/Q2KS6RX9
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50347352 (CHEMBL1801353) Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1cnccn1)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r| Show InChI InChI=1S/C24H20ClFN6O2/c1-14(29-23(34)24(8-9-24)30-22(33)19-13-27-10-11-28-19)16-7-6-15(12-18(16)26)32-20-5-3-2-4-17(20)21(25)31-32/h2-7,10-14H,8-9H2,1H3,(H,29,34)(H,30,33)/t14-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of radioligand from human CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 7011-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.121 BindingDB Entry DOI: 10.7270/Q2KS6RX9
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50347356 (CHEMBL1801073) Show SMILES CCc1nn(-c2ccc([C@@H](C)NC(=O)C3(CC3)NC(=O)c3cc(OC)no3)c(F)c2)c2ccccc12 |r| Show InChI InChI=1S/C26H26FN5O4/c1-4-20-18-7-5-6-8-21(18)32(30-20)16-9-10-17(19(27)13-16)15(2)28-25(34)26(11-12-26)29-24(33)22-14-23(35-3)31-36-22/h5-10,13-15H,4,11-12H2,1-3H3,(H,28,34)(H,29,33)/t15-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of radioligand from human CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 7011-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.121 BindingDB Entry DOI: 10.7270/Q2KS6RX9
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50347361 (CHEMBL1801078) Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1nc(OC)c2ccccc12 |r| Show InChI InChI=1S/C25H24FN5O5/c1-14(27-24(33)25(10-11-25)28-22(32)20-13-21(34-2)30-36-20)16-9-8-15(12-18(16)26)31-19-7-5-4-6-17(19)23(29-31)35-3/h4-9,12-14H,10-11H2,1-3H3,(H,27,33)(H,28,32)/t14-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of radioligand from human CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 7011-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.121 BindingDB Entry DOI: 10.7270/Q2KS6RX9
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50347367 (CHEMBL1801083) Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1ncc2CCCCc12 |r| Show InChI InChI=1S/C24H26FN5O4/c1-14(27-23(32)24(9-10-24)28-22(31)20-12-21(33-2)29-34-20)17-8-7-16(11-18(17)25)30-19-6-4-3-5-15(19)13-26-30/h7-8,11-14H,3-6,9-10H2,1-2H3,(H,27,32)(H,28,31)/t14-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of radioligand from human CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 7011-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.121 BindingDB Entry DOI: 10.7270/Q2KS6RX9
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50347357 (CHEMBL1801074) Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1nc(C2CC2)c2ccccc12 |r| Show InChI InChI=1S/C27H26FN5O4/c1-15(29-26(35)27(11-12-27)30-25(34)22-14-23(36-2)32-37-22)18-10-9-17(13-20(18)28)33-21-6-4-3-5-19(21)24(31-33)16-7-8-16/h3-6,9-10,13-16H,7-8,11-12H2,1-2H3,(H,29,35)(H,30,34)/t15-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of radioligand from human CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 7011-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.121 BindingDB Entry DOI: 10.7270/Q2KS6RX9
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50347358 (CHEMBL1801075) Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1nc(-c2ccccc2)c2ccccc12 |r| Show InChI InChI=1S/C30H26FN5O4/c1-18(32-29(38)30(14-15-30)33-28(37)25-17-26(39-2)35-40-25)21-13-12-20(16-23(21)31)36-24-11-7-6-10-22(24)27(34-36)19-8-4-3-5-9-19/h3-13,16-18H,14-15H2,1-2H3,(H,32,38)(H,33,37)/t18-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of radioligand from human CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 7011-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.121 BindingDB Entry DOI: 10.7270/Q2KS6RX9
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50347364 (CHEMBL1801080) Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1cccn1 |r| Show InChI InChI=1S/C20H20FN5O4/c1-12(14-5-4-13(10-15(14)21)26-9-3-8-22-26)23-19(28)20(6-7-20)24-18(27)16-11-17(29-2)25-30-16/h3-5,8-12H,6-7H2,1-2H3,(H,23,28)(H,24,27)/t12-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of radioligand from human CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 7011-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.121 BindingDB Entry DOI: 10.7270/Q2KS6RX9
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50347360 (CHEMBL1801077) Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1[nH]c(=O)c2ccccc12 |r| Show InChI InChI=1S/C24H22FN5O5/c1-13(26-23(33)24(9-10-24)27-22(32)19-12-20(34-2)29-35-19)15-8-7-14(11-17(15)25)30-18-6-4-3-5-16(18)21(31)28-30/h3-8,11-13H,9-10H2,1-2H3,(H,26,33)(H,27,32)(H,28,31)/t13-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	335	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of radioligand from human CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 7011-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.121 BindingDB Entry DOI: 10.7270/Q2KS6RX9
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50347366 (CHEMBL1801082) Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1cc(cn1)-c1ccccc1 |r| Show InChI InChI=1S/C26H24FN5O4/c1-16(29-25(34)26(10-11-26)30-24(33)22-13-23(35-2)31-36-22)20-9-8-19(12-21(20)27)32-15-18(14-28-32)17-6-4-3-5-7-17/h3-9,12-16H,10-11H2,1-2H3,(H,29,34)(H,30,33)/t16-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of radioligand from human CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 7011-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.121 BindingDB Entry DOI: 10.7270/Q2KS6RX9
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50347365 (CHEMBL1801081) Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1ccc(n1)-c1ccccc1 |r| Show InChI InChI=1S/C26H24FN5O4/c1-16(28-25(34)26(11-12-26)29-24(33)22-15-23(35-2)31-36-22)19-9-8-18(14-20(19)27)32-13-10-21(30-32)17-6-4-3-5-7-17/h3-10,13-16H,11-12H2,1-2H3,(H,28,34)(H,29,33)/t16-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of radioligand from human CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 7011-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.121 BindingDB Entry DOI: 10.7270/Q2KS6RX9
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50347363 (CHEMBL1801085) Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1nc(Cl)c2ccccc12 |r| Show InChI InChI=1S/C24H21ClFN5O4/c1-13(27-23(33)24(9-10-24)28-22(32)19-12-20(34-2)30-35-19)15-8-7-14(11-17(15)26)31-18-6-4-3-5-16(18)21(25)29-31/h3-8,11-13H,9-10H2,1-2H3,(H,27,33)(H,28,32)/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of radioligand from human CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 7011-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.121 BindingDB Entry DOI: 10.7270/Q2KS6RX9
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50347362 (CHEMBL1801079) Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1nc(C#N)c2ccccc12 |r| Show InChI InChI=1S/C25H21FN6O4/c1-14(28-24(34)25(9-10-25)29-23(33)21-12-22(35-2)31-36-21)16-8-7-15(11-18(16)26)32-20-6-4-3-5-17(20)19(13-27)30-32/h3-8,11-12,14H,9-10H2,1-2H3,(H,28,34)(H,29,33)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of radioligand from human CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 7011-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.121 BindingDB Entry DOI: 10.7270/Q2KS6RX9
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50347361 (CHEMBL1801078) Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1nc(OC)c2ccccc12 |r| Show InChI InChI=1S/C25H24FN5O5/c1-14(27-24(33)25(10-11-25)28-22(32)20-13-21(34-2)30-36-20)16-9-8-15(12-18(16)26)31-19-7-5-4-6-17(19)23(29-31)35-3/h4-9,12-14H,10-11H2,1-3H3,(H,27,33)(H,28,32)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of radioligand from human CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 7011-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.121 BindingDB Entry DOI: 10.7270/Q2KS6RX9
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50347360 (CHEMBL1801077) Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1[nH]c(=O)c2ccccc12 |r| Show InChI InChI=1S/C24H22FN5O5/c1-13(26-23(33)24(9-10-24)27-22(32)19-12-20(34-2)29-35-19)15-8-7-14(11-17(15)25)30-18-6-4-3-5-16(18)21(31)28-30/h3-8,11-13H,9-10H2,1-2H3,(H,26,33)(H,27,32)(H,28,31)/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of radioligand from human CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 7011-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.121 BindingDB Entry DOI: 10.7270/Q2KS6RX9
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50347359 (CHEMBL1801076) Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1nc(Br)c2ccccc12 |r| Show InChI InChI=1S/C24H21BrFN5O4/c1-13(27-23(33)24(9-10-24)28-22(32)19-12-20(34-2)30-35-19)15-8-7-14(11-17(15)26)31-18-6-4-3-5-16(18)21(25)29-31/h3-8,11-13H,9-10H2,1-2H3,(H,27,33)(H,28,32)/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of radioligand from human CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 7011-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.121 BindingDB Entry DOI: 10.7270/Q2KS6RX9
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50347358 (CHEMBL1801075) Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1nc(-c2ccccc2)c2ccccc12 |r| Show InChI InChI=1S/C30H26FN5O4/c1-18(32-29(38)30(14-15-30)33-28(37)25-17-26(39-2)35-40-25)21-13-12-20(16-23(21)31)36-24-11-7-6-10-22(24)27(34-36)19-8-4-3-5-9-19/h3-13,16-18H,14-15H2,1-2H3,(H,32,38)(H,33,37)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of radioligand from human CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 7011-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.121 BindingDB Entry DOI: 10.7270/Q2KS6RX9
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50347357 (CHEMBL1801074) Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1nc(C2CC2)c2ccccc12 |r| Show InChI InChI=1S/C27H26FN5O4/c1-15(29-26(35)27(11-12-27)30-25(34)22-14-23(36-2)32-37-22)18-10-9-17(13-20(18)28)33-21-6-4-3-5-19(21)24(31-33)16-7-8-16/h3-6,9-10,13-16H,7-8,11-12H2,1-2H3,(H,29,35)(H,30,34)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of radioligand from human CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 7011-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.121 BindingDB Entry DOI: 10.7270/Q2KS6RX9
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50347354 (CHEMBL1801163) Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1ncc2ccccc12 |r| Show InChI InChI=1S/C24H22FN5O4/c1-14(27-23(32)24(9-10-24)28-22(31)20-12-21(33-2)29-34-20)17-8-7-16(11-18(17)25)30-19-6-4-3-5-15(19)13-26-30/h3-8,11-14H,9-10H2,1-2H3,(H,27,32)(H,28,31)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of radioligand from human CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 7011-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.121 BindingDB Entry DOI: 10.7270/Q2KS6RX9
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50347355 (CHEMBL1801072) Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ccc(cc1F)-n1nc(C)c2ccccc12 |r| Show InChI InChI=1S/C25H24FN5O4/c1-14(27-24(33)25(10-11-25)28-23(32)21-13-22(34-3)30-35-21)17-9-8-16(12-19(17)26)31-20-7-5-4-6-18(20)15(2)29-31/h4-9,12-14H,10-11H2,1-3H3,(H,27,33)(H,28,32)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of radioligand from human CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 7011-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.121 BindingDB Entry DOI: 10.7270/Q2KS6RX9
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50347356 (CHEMBL1801073) Show SMILES CCc1nn(-c2ccc([C@@H](C)NC(=O)C3(CC3)NC(=O)c3cc(OC)no3)c(F)c2)c2ccccc12 |r| Show InChI InChI=1S/C26H26FN5O4/c1-4-20-18-7-5-6-8-21(18)32(30-20)16-9-10-17(19(27)13-16)15(2)28-25(34)26(11-12-26)29-24(33)22-14-23(35-3)31-36-22/h5-10,13-15H,4,11-12H2,1-3H3,(H,28,34)(H,29,33)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of radioligand from human CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 7011-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.121 BindingDB Entry DOI: 10.7270/Q2KS6RX9
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50184680 (CHEMBL210234 | N-(4-fluorobenzyl)-8-hydroxy-5-(N-m...) Show SMILES CN(C(=O)C(=O)N1CCCCC1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 Show InChI InChI=1S/C24H24FN5O4/c1-29(23(33)24(34)30-12-3-2-4-13-30)21-17-6-5-11-26-18(17)20(31)19(28-21)22(32)27-14-15-7-9-16(25)10-8-15/h5-11,31H,2-4,12-14H2,1H3,(H,27,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of strand transfer process of HIV1 integrase				Bioorg Med Chem Lett 16: 2900-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.003 BindingDB Entry DOI: 10.7270/Q2T43SP2
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50184681 (CHEMBL379658 | N-(4-fluorobenzyl)-5-(4-ethyl-2,3-d...) Show SMILES CCN1CCN(C(=O)C1=O)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 Show InChI InChI=1S/C22H20FN5O4/c1-2-27-10-11-28(22(32)21(27)31)19-15-4-3-9-24-16(15)18(29)17(26-19)20(30)25-12-13-5-7-14(23)8-6-13/h3-9,29H,2,10-12H2,1H3,(H,25,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of strand transfer process of HIV1 integrase				Bioorg Med Chem Lett 16: 2900-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.003 BindingDB Entry DOI: 10.7270/Q2T43SP2
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50184677 (CHEMBL378029 | N-(4-fluorobenzyl)-8-hydroxy-5-(N-m...) Show SMILES CNC(=O)C(=O)N(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 Show InChI InChI=1S/C20H18FN5O4/c1-22-19(29)20(30)26(2)17-13-4-3-9-23-14(13)16(27)15(25-17)18(28)24-10-11-5-7-12(21)8-6-11/h3-9,27H,10H2,1-2H3,(H,22,29)(H,24,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of strand transfer process of HIV1 integrase				Bioorg Med Chem Lett 16: 2900-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.003 BindingDB Entry DOI: 10.7270/Q2T43SP2
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50184687 (CHEMBL210233 | N-(4-fluorobenzyl)-5-(2-amino-N-met...) Show SMILES CN(C(=O)C(N)=O)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 Show InChI InChI=1S/C19H16FN5O4/c1-25(19(29)16(21)27)17-12-3-2-8-22-13(12)15(26)14(24-17)18(28)23-9-10-4-6-11(20)7-5-10/h2-8,26H,9H2,1H3,(H2,21,27)(H,23,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of strand transfer process of HIV1 integrase				Bioorg Med Chem Lett 16: 2900-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.003 BindingDB Entry DOI: 10.7270/Q2T43SP2
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50184682 (CHEMBL377759 | N-(4-fluorobenzyl)-8-hydroxy-5-(N-m...) Show SMILES CN(C(C)=O)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 Show InChI InChI=1S/C19H17FN4O3/c1-11(25)24(2)18-14-4-3-9-21-15(14)17(26)16(23-18)19(27)22-10-12-5-7-13(20)8-6-12/h3-9,26H,10H2,1-2H3,(H,22,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of strand transfer process of HIV1 integrase				Bioorg Med Chem Lett 16: 2900-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.003 BindingDB Entry DOI: 10.7270/Q2T43SP2
					More data for this Ligand-Target Pair

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