Compile Data Set for Download or QSAR

Found 285 hits with Last Name = 'leitl' and Initial = 'm'   

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 (Homo sapiens (Human))	BDBM50234418 ((2,3-Dichloro-phenyl)-[5-methoxy-2-methyl-3-(2-mor...) Show SMILES COc1ccc2n(C(=O)c3cccc(Cl)c3Cl)c(C)c(CCN3CCOCC3)c2c1 Show InChI InChI=1S/C23H24Cl2N2O3/c1-15-17(8-9-26-10-12-30-13-11-26)19-14-16(29-2)6-7-21(19)27(15)23(28)18-4-3-5-20(24)22(18)25/h3-7,14H,8-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents 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 Binding affinity to human CB2 receptor				Bioorg Med Chem Lett 21: 2354-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.082 BindingDB Entry DOI: 10.7270/Q2C829MB
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50234418 ((2,3-Dichloro-phenyl)-[5-methoxy-2-methyl-3-(2-mor...) Show SMILES COc1ccc2n(C(=O)c3cccc(Cl)c3Cl)c(C)c(CCN3CCOCC3)c2c1 Show InChI InChI=1S/C23H24Cl2N2O3/c1-15-17(8-9-26-10-12-30-13-11-26)19-14-16(29-2)6-7-21(19)27(15)23(28)18-4-3-5-20(24)22(18)25/h3-7,14H,8-13H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human CB1 receptor				Bioorg Med Chem Lett 21: 2354-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.082 BindingDB Entry DOI: 10.7270/Q2C829MB
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341928 (CHEMBL1765160 | cis-(4-chlorophenyl)((4R,4aS,8aR)-...) Show SMILES O[C@@]1(CCN([C@@H]2CCCC[C@H]12)C(=O)c1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C22H24ClNO2/c23-18-12-10-16(11-13-18)21(25)24-15-14-22(26,17-6-2-1-3-7-17)19-8-4-5-9-20(19)24/h1-3,6-7,10-13,19-20,26H,4-5,8-9,14-15H2/t19-,20+,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50340312 ((2,3-dichlorophenyl)(1-((4,4-difluoropiperidin-1-y...) Show SMILES FC1(F)CCN(Cc2nc(C(=O)c3cccc(Cl)c3Cl)n3ccccc23)CC1 Show InChI InChI=1S/C20H17Cl2F2N3O/c21-14-5-3-4-13(17(14)22)18(28)19-25-15(16-6-1-2-9-27(16)19)12-26-10-7-20(23,24)8-11-26/h1-6,9H,7-8,10-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP level				Bioorg Med Chem Lett 21: 2354-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.082 BindingDB Entry DOI: 10.7270/Q2C829MB
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341934 (CHEMBL1765259 | cis-rac-((4S,4aR,8aS)-4-hydroxy-4-...) Show SMILES O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccc2ncccc2c1)c1ccccc1 |r| Show InChI InChI=1S/C25H26N2O2/c28-24(19-12-13-22-18(17-19)7-6-15-26-22)27-16-14-25(29,20-8-2-1-3-9-20)21-10-4-5-11-23(21)27/h1-3,6-9,12-13,15,17,21,23,29H,4-5,10-11,14,16H2/t21-,23+,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341920 (((4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-1(2...) Show SMILES OC1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1csc(n1)-c1ccncc1)c1ccccc1 |r| Show InChI InChI=1S/C24H25N3O2S/c28-23(20-16-30-22(26-20)17-10-13-25-14-11-17)27-15-12-24(29,18-6-2-1-3-7-18)19-8-4-5-9-21(19)27/h1-3,6-7,10-11,13-14,16,19,21,29H,4-5,8-9,12,15H2/t19-,21+,24?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341920 (((4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-1(2...) Show SMILES OC1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1csc(n1)-c1ccncc1)c1ccccc1 |r| Show InChI InChI=1S/C24H25N3O2S/c28-23(20-16-30-22(26-20)17-10-13-25-14-11-17)27-15-12-24(29,18-6-2-1-3-7-18)19-8-4-5-9-21(19)27/h1-3,6-7,10-11,13-14,16,19,21,29H,4-5,8-9,12,15H2/t19-,21+,24?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341930 (CHEMBL1765246 | cis-((4R,4aS,8aR)-4-hydroxy-4-phen...) Show SMILES O[C@@]1(CCN([C@@H]2CCCC[C@H]12)C(=O)c1cccc2[nH]ccc12)c1ccccc1 |r| Show InChI InChI=1S/C24H26N2O2/c27-23(19-9-6-11-21-18(19)13-15-25-21)26-16-14-24(28,17-7-2-1-3-8-17)20-10-4-5-12-22(20)26/h1-3,6-9,11,13,15,20,22,25,28H,4-5,10,12,14,16H2/t20-,22+,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.620	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50340311 ((3-fluoro-2-(trifluoromethyl)phenyl)(1-(morpholino...) Show SMILES Fc1cccc(C(=O)c2nc(CN3CCOCC3)c3ccccn23)c1C(F)(F)F Show InChI InChI=1S/C20H17F4N3O2/c21-14-5-3-4-13(17(14)20(22,23)24)18(28)19-25-15(12-26-8-10-29-11-9-26)16-6-1-2-7-27(16)19/h1-7H,8-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP level				Bioorg Med Chem Lett 21: 2354-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.082 BindingDB Entry DOI: 10.7270/Q2C829MB
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341929 (CHEMBL1765161 | cis-((4R,4aS,8aR)-4-hydroxy-4-phen...) Show SMILES O[C@@]1(CCN([C@@H]2CCCC[C@H]12)C(=O)c1ccc2ccccc2n1)c1ccccc1 |r| Show InChI InChI=1S/C25H26N2O2/c28-24(22-15-14-18-8-4-6-12-21(18)26-22)27-17-16-25(29,19-9-2-1-3-10-19)20-11-5-7-13-23(20)27/h1-4,6,8-10,12,14-15,20,23,29H,5,7,11,13,16-17H2/t20-,23+,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.820	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341936 (CHEMBL1765261 | cis-rac-((4S,4aR,8aS)-4-hydroxy-4-...) Show SMILES O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccc2[nH]ccc2c1)c1ccccc1 |r| Show InChI InChI=1S/C24H26N2O2/c27-23(18-10-11-21-17(16-18)12-14-25-21)26-15-13-24(28,19-6-2-1-3-7-19)20-8-4-5-9-22(20)26/h1-3,6-7,10-12,14,16,20,22,25,28H,4-5,8-9,13,15H2/t20-,22+,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50022671 (CHEMBL3298265) Show SMILES Cc1cn2cc(CNc3ncnc4ccc(nc34)N3CCC[C@@H]3c3cc(F)ccc3F)nc2s1 |r| Show InChI InChI=1S/C24H21F2N7S/c1-14-11-32-12-16(30-24(32)34-14)10-27-23-22-19(28-13-29-23)6-7-21(31-22)33-8-2-3-20(33)17-9-15(25)4-5-18(17)26/h4-7,9,11-13,20H,2-3,8,10H2,1H3,(H,27,28,29)/t20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of purified TrkA cytoplasmic domain (unknown origin) by HTRF assay				J Med Chem 57: 5800-16 (2014) Article DOI: 10.1021/jm5006429 BindingDB Entry DOI: 10.7270/Q2BV7J69
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50340313 (1-((4,4-difluoropiperidin-1-yl)methyl)-N-(6-(trifl...) Show SMILES FC(F)(F)c1cccc(NC(=O)c2nc(CN3CCC(F)(F)CC3)c3ccccn23)n1 Show InChI InChI=1S/C20H18F5N5O/c21-19(22)7-10-29(11-8-19)12-13-14-4-1-2-9-30(14)17(26-13)18(31)28-16-6-3-5-15(27-16)20(23,24)25/h1-6,9H,7-8,10-12H2,(H,27,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP level				Bioorg Med Chem Lett 21: 2354-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.082 BindingDB Entry DOI: 10.7270/Q2C829MB
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50340315 (3-((4,4-difluoropiperidin-1-yl)methyl)-N-((1-(hydr...) Show SMILES OCC1(CNC(=O)c2nc(CN3CCC(F)(F)CC3)n3ccccc23)CCCC1 Show InChI InChI=1S/C21H28F2N4O2/c22-21(23)8-11-26(12-9-21)13-17-25-18(16-5-1-4-10-27(16)17)19(29)24-14-20(15-28)6-2-3-7-20/h1,4-5,10,28H,2-3,6-9,11-15H2,(H,24,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP level				Bioorg Med Chem Lett 21: 2354-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.082 BindingDB Entry DOI: 10.7270/Q2C829MB
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50446392 (CHEMBL3109645 | US9181261, 2) Show SMILES CC(C)N(Cc1c[nH]c2ncccc12)C(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C19H19F3N4O2/c1-12(2)26(11-13-10-24-17-16(13)4-3-9-23-17)18(27)25-14-5-7-15(8-6-14)28-19(20,21)22/h3-10,12H,11H2,1-2H3,(H,23,24)(H,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human TrkA expressed in human U2OS cells assessed as inhibition of NGF-induced maximum response after 1 hr by beta-galactosidase assay				J Med Chem 57: 5800-16 (2014) Article DOI: 10.1021/jm5006429 BindingDB Entry DOI: 10.7270/Q2BV7J69
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341933 (CHEMBL1765258 | cis-rac-((4S,4aR,8aS)-4-hydroxy-4-...) Show SMILES O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1cnc2ccccc2c1)c1ccccc1 |r| Show InChI InChI=1S/C25H26N2O2/c28-24(19-16-18-8-4-6-12-22(18)26-17-19)27-15-14-25(29,20-9-2-1-3-10-20)21-11-5-7-13-23(21)27/h1-4,6,8-10,12,16-17,21,23,29H,5,7,11,13-15H2/t21-,23+,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.38	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341938 (CHEMBL1765263 | cis-rac-((4S,4aR,8aS)-4-hydroxy-4-...) Show SMILES O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1cccc2[nH]ncc12)c1ccccc1 |r| Show InChI InChI=1S/C23H25N3O2/c27-22(17-9-6-11-20-18(17)15-24-25-20)26-14-13-23(28,16-7-2-1-3-8-16)19-10-4-5-12-21(19)26/h1-3,6-9,11,15,19,21,28H,4-5,10,12-14H2,(H,24,25)/t19-,21+,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341927 (CHEMBL1765159 | cis-((4R,4aS,8aR)-4-hydroxy-4-phen...) Show SMILES O[C@@]1(CCN([C@@H]2CCCC[C@H]12)C(=O)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C22H25NO2/c24-21(17-9-3-1-4-10-17)23-16-15-22(25,18-11-5-2-6-12-18)19-13-7-8-14-20(19)23/h1-6,9-12,19-20,25H,7-8,13-16H2/t19-,20+,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50005282 (CHEMBL3114534) Show SMILES OC(c1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)n2ccccc12)c1cccnc1 |TLB:7:8:11:15.13.14,THB:13:12:9:15.14.16,13:14:11.12.17:9,16:14:11:17.8.9,16:8:11:15.13.14| Show InChI InChI=1S/C24H26N4O2/c29-21(18-4-3-6-25-14-18)20-19-5-1-2-7-28(19)22(26-20)23(30)27-24-11-15-8-16(12-24)10-17(9-15)13-24/h1-7,14-17,21,29H,8-13H2,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr				Bioorg Med Chem Lett 24: 1218-21 (2014) Article DOI: 10.1016/j.bmcl.2013.12.068 BindingDB Entry DOI: 10.7270/Q2FJ2J9K
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341919 (((4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-1(2...) Show SMILES OC1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1cccc2[nH]ncc12)c1ccccc1 |r| Show InChI InChI=1S/C23H25N3O2/c27-22(17-9-6-11-20-18(17)15-24-25-20)26-14-13-23(28,16-7-2-1-3-8-16)19-10-4-5-12-21(19)26/h1-3,6-9,11,15,19,21,28H,4-5,10,12-14H2,(H,24,25)/t19-,21+,23?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341919 (((4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-1(2...) Show SMILES OC1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1cccc2[nH]ncc12)c1ccccc1 |r| Show InChI InChI=1S/C23H25N3O2/c27-22(17-9-6-11-20-18(17)15-24-25-20)26-14-13-23(28,16-7-2-1-3-8-16)19-10-4-5-12-21(19)26/h1-3,6-9,11,15,19,21,28H,4-5,10,12-14H2,(H,24,25)/t19-,21+,23?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50340310 ((2,3-dichlorophenyl)(1-(morpholinomethyl)imidazo[1...) Show SMILES Clc1cccc(C(=O)c2nc(CN3CCOCC3)c3ccccn23)c1Cl Show InChI InChI=1S/C19H17Cl2N3O2/c20-14-5-3-4-13(17(14)21)18(25)19-22-15(12-23-8-10-26-11-9-23)16-6-1-2-7-24(16)19/h1-7H,8-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP level				Bioorg Med Chem Lett 21: 2354-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.082 BindingDB Entry DOI: 10.7270/Q2C829MB
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341935 (CHEMBL1765260 | cis-rac-((4S,4aR,8aS)-4-hydroxy-4-...) Show SMILES O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccc2cnccc2n1)c1ccccc1 |r| Show InChI InChI=1S/C24H25N3O2/c28-23(21-11-10-17-16-25-14-12-20(17)26-21)27-15-13-24(29,18-6-2-1-3-7-18)19-8-4-5-9-22(19)27/h1-3,6-7,10-12,14,16,19,22,29H,4-5,8-9,13,15H2/t19-,22+,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341932 (CHEMBL1765248 | cis-((4R,4aS,8aR)-4-hydroxy-4-phen...) Show SMILES CN1CCC(C1)C(=O)N1CC[C@@](O)([C@H]2CCCC[C@@H]12)c1ccccc1 |r| Show InChI InChI=1S/C21H30N2O2/c1-22-13-11-16(15-22)20(24)23-14-12-21(25,17-7-3-2-4-8-17)18-9-5-6-10-19(18)23/h2-4,7-8,16,18-19,25H,5-6,9-15H2,1H3/t16?,18-,19+,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341942 (CHEMBL1765267 | cis-rac-((4S,4aR,8aS)-4-hydroxy-4-...) Show SMILES Cc1cccc(n1)C(=O)N1CC[C@](O)([C@@H]2CCCC[C@H]12)c1ccccc1 |r| Show InChI InChI=1S/C22H26N2O2/c1-16-8-7-12-19(23-16)21(25)24-15-14-22(26,17-9-3-2-4-10-17)18-11-5-6-13-20(18)24/h2-4,7-10,12,18,20,26H,5-6,11,13-15H2,1H3/t18-,20+,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341940 (CHEMBL1765265 | cis-rac-(3-fluoropyridin-4-yl)((4S...) Show SMILES O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccncc1F)c1ccccc1 |r| Show InChI InChI=1S/C21H23FN2O2/c22-18-14-23-12-10-16(18)20(25)24-13-11-21(26,15-6-2-1-3-7-15)17-8-4-5-9-19(17)24/h1-3,6-7,10,12,14,17,19,26H,4-5,8-9,11,13H2/t17-,19+,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM50341951 (((4S,4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-...) Show SMILES Cc1ccc(cn1)C(=O)N1CC[C@](O)([C@@H]2CCCC[C@H]12)c1ccccc1 |r| Show InChI InChI=1S/C22H26N2O2/c1-16-11-12-17(15-23-16)21(25)24-14-13-22(26,18-7-3-2-4-8-18)19-9-5-6-10-20(19)24/h2-4,7-8,11-12,15,19-20,26H,5-6,9-10,13-14H2,1H3/t19-,20+,22-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at rat CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fors...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50022675 (CHEMBL3298268) Show SMILES CC(C)(C)c1cc(NC(=O)Cn2cc(nn2)-c2ccc(nc2)-n2ccnc2)n(n1)-c1cccnc1 Show InChI InChI=1S/C24H24N10O/c1-24(2,3)20-11-22(34(30-20)18-5-4-8-25-13-18)28-23(35)15-33-14-19(29-31-33)17-6-7-21(27-12-17)32-10-9-26-16-32/h4-14,16H,15H2,1-3H3,(H,28,35)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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 human TrkA expressed in human U2OS cells assessed as inhibition of NGF-induced maximum response after 1 hr by beta-galactosidase assay				J Med Chem 57: 5800-16 (2014) Article DOI: 10.1021/jm5006429 BindingDB Entry DOI: 10.7270/Q2BV7J69
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50340316 (3-cyclopropyl-N-(dicyclopropylmethyl)imidazo[1,5-a...) Show SMILES O=C(NC(C1CC1)C1CC1)c1nc(C2CC2)n2ccccc12 Show InChI InChI=1S/C18H21N3O/c22-18(20-15(11-4-5-11)12-6-7-12)16-14-3-1-2-10-21(14)17(19-16)13-8-9-13/h1-3,10-13,15H,4-9H2,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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 Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP level				Bioorg Med Chem Lett 21: 2354-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.082 BindingDB Entry DOI: 10.7270/Q2C829MB
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341951 (((4S,4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-...) Show SMILES Cc1ccc(cn1)C(=O)N1CC[C@](O)([C@@H]2CCCC[C@H]12)c1ccccc1 |r| Show InChI InChI=1S/C22H26N2O2/c1-16-11-12-17(15-23-16)21(25)24-14-13-22(26,18-7-3-2-4-8-18)19-9-5-6-10-20(19)24/h2-4,7-8,11-12,15,19-20,26H,5-6,9-10,13-14H2,1H3/t19-,20+,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341951 (((4S,4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-...) Show SMILES Cc1ccc(cn1)C(=O)N1CC[C@](O)([C@@H]2CCCC[C@H]12)c1ccccc1 |r| Show InChI InChI=1S/C22H26N2O2/c1-16-11-12-17(15-23-16)21(25)24-14-13-22(26,18-7-3-2-4-8-18)19-9-5-6-10-20(19)24/h2-4,7-8,11-12,15,19-20,26H,5-6,9-10,13-14H2,1H3/t19-,20+,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341920 (((4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-1(2...) Show SMILES OC1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1csc(n1)-c1ccncc1)c1ccccc1 |r| Show InChI InChI=1S/C24H25N3O2S/c28-23(20-16-30-22(26-20)17-10-13-25-14-11-17)27-15-12-24(29,18-6-2-1-3-7-18)19-8-4-5-9-21(19)27/h1-3,6-7,10-11,13-14,16,19,21,29H,4-5,8-9,12,15H2/t19-,21+,24?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50022674 (CHEMBL3298267) Show SMILES Cc1cn(cn1)-c1ccc(cc1)-c1cn(CC(=O)Nc2cc(nn2-c2ccccc2)C2CC2)nn1 Show InChI InChI=1S/C26H24N8O/c1-18-14-32(17-27-18)21-11-9-20(10-12-21)24-15-33(31-29-24)16-26(35)28-25-13-23(19-7-8-19)30-34(25)22-5-3-2-4-6-22/h2-6,9-15,17,19H,7-8,16H2,1H3,(H,28,35)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human TrkA expressed in human U2OS cells assessed as inhibition of NGF-induced maximum response after 1 hr by beta-galactosidase assay				J Med Chem 57: 5800-16 (2014) Article DOI: 10.1021/jm5006429 BindingDB Entry DOI: 10.7270/Q2BV7J69
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50022675 (CHEMBL3298268) Show SMILES CC(C)(C)c1cc(NC(=O)Cn2cc(nn2)-c2ccc(nc2)-n2ccnc2)n(n1)-c1cccnc1 Show InChI InChI=1S/C24H24N10O/c1-24(2,3)20-11-22(34(30-20)18-5-4-8-25-13-18)28-23(35)15-33-14-19(29-31-33)17-6-7-21(27-12-17)32-10-9-26-16-32/h4-14,16H,15H2,1-3H3,(H,28,35)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of purified TrkA cytoplasmic domain (unknown origin) by HTRF assay				J Med Chem 57: 5800-16 (2014) Article DOI: 10.1021/jm5006429 BindingDB Entry DOI: 10.7270/Q2BV7J69
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341939 (CHEMBL1765264 | cis-rac-((4S,4aR,8aS)-4-hydroxy-4-...) Show SMILES O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccon1)c1ccccc1 |r| Show InChI InChI=1S/C19H22N2O3/c22-18(16-10-13-24-20-16)21-12-11-19(23,14-6-2-1-3-7-14)15-8-4-5-9-17(15)21/h1-3,6-7,10,13,15,17,23H,4-5,8-9,11-12H2/t15-,17+,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM50340310 ((2,3-dichlorophenyl)(1-(morpholinomethyl)imidazo[1...) Show SMILES Clc1cccc(C(=O)c2nc(CN3CCOCC3)c3ccccn23)c1Cl Show InChI InChI=1S/C19H17Cl2N3O2/c20-14-5-3-4-13(17(14)21)18(25)19-22-15(12-23-8-10-26-11-9-23)16-6-1-2-7-24(16)19/h1-7H,8-12H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at rat CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP level				Bioorg Med Chem Lett 21: 2354-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.082 BindingDB Entry DOI: 10.7270/Q2C829MB
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50446392 (CHEMBL3109645 | US9181261, 2) Show SMILES CC(C)N(Cc1c[nH]c2ncccc12)C(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C19H19F3N4O2/c1-12(2)26(11-13-10-24-17-16(13)4-3-9-23-17)18(27)25-14-5-7-15(8-6-14)28-19(20,21)22/h3-10,12H,11H2,1-2H3,(H,23,24)(H,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of phsophorylated TrkA (unknown origin) assessed as inhibition of fluorescently-labelled substrate phosphorylation by CALIPER enzymatic as...				J Med Chem 57: 5800-16 (2014) Article DOI: 10.1021/jm5006429 BindingDB Entry DOI: 10.7270/Q2BV7J69
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50022670 (CHEMBL3297748) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncnc3ccc(NCc4cccc(Cl)c4)nc23)cc1 Show InChI InChI=1S/C25H26ClN7/c1-32-11-13-33(14-12-32)21-7-5-20(6-8-21)30-25-24-22(28-17-29-25)9-10-23(31-24)27-16-18-3-2-4-19(26)15-18/h2-10,15,17H,11-14,16H2,1H3,(H,27,31)(H,28,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of purified TrkA cytoplasmic domain (unknown origin) by HTRF assay				J Med Chem 57: 5800-16 (2014) Article DOI: 10.1021/jm5006429 BindingDB Entry DOI: 10.7270/Q2BV7J69
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341955 (CHEMBL1765281 | cis-rac-((4S,4aR,8aS)-4-hydroxy-4-...) Show SMILES O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccc(nc1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C22H23F3N2O2/c23-22(24,25)19-11-10-15(14-26-19)20(28)27-13-12-21(29,16-6-2-1-3-7-16)17-8-4-5-9-18(17)27/h1-3,6-7,10-11,14,17-18,29H,4-5,8-9,12-13H2/t17-,18+,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341945 (CHEMBL1765270 | cis-rac-(6-cyclopropylpyridin-3-yl...) Show SMILES O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccc(nc1)C1CC1)c1ccccc1 |r| Show InChI InChI=1S/C24H28N2O2/c27-23(18-12-13-21(25-16-18)17-10-11-17)26-15-14-24(28,19-6-2-1-3-7-19)20-8-4-5-9-22(20)26/h1-3,6-7,12-13,16-17,20,22,28H,4-5,8-11,14-15H2/t20-,22+,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50022671 (CHEMBL3298265) Show SMILES Cc1cn2cc(CNc3ncnc4ccc(nc34)N3CCC[C@@H]3c3cc(F)ccc3F)nc2s1 |r| Show InChI InChI=1S/C24H21F2N7S/c1-14-11-32-12-16(30-24(32)34-14)10-27-23-22-19(28-13-29-23)6-7-21(31-22)33-8-2-3-20(33)17-9-15(25)4-5-18(17)26/h4-7,9,11-13,20H,2-3,8,10H2,1H3,(H,27,28,29)/t20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of phsophorylated TrkA (unknown origin) assessed as inhibition of fluorescently-labelled substrate phosphorylation by CALIPER enzymatic as...				J Med Chem 57: 5800-16 (2014) Article DOI: 10.1021/jm5006429 BindingDB Entry DOI: 10.7270/Q2BV7J69
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341952 (((4S,4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-...) Show SMILES CN1CCOC[C@H]1C(=O)N1CC[C@](O)([C@@H]2CCCC[C@H]12)c1ccccc1 |r| Show InChI InChI=1S/C21H30N2O3/c1-22-13-14-26-15-19(22)20(24)23-12-11-21(25,16-7-3-2-4-8-16)17-9-5-6-10-18(17)23/h2-4,7-8,17-19,25H,5-6,9-15H2,1H3/t17-,18+,19+,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341943 (CHEMBL1765268 | cis-rac-((4S,4aR,8aS)-4-hydroxy-4-...) Show SMILES O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccc(OCC(F)(F)F)nc1)c1ccccc1 |r| Show InChI InChI=1S/C23H25F3N2O3/c24-23(25,26)15-31-20-11-10-16(14-27-20)21(29)28-13-12-22(30,17-6-2-1-3-7-17)18-8-4-5-9-19(18)28/h1-3,6-7,10-11,14,18-19,30H,4-5,8-9,12-13,15H2/t18-,19+,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50460861 (CHEMBL4229237) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(C)(C)O)-c1ccc(Cl)cn1)c1ccc([n+]([O-])c1)C(F)(F)F |r| Show InChI InChI=1S/C23H21ClF3N3O3/c1-13(14-4-7-20(23(25,26)27)30(33)12-14)29-21(31)16-8-15(9-17(10-16)22(2,3)32)19-6-5-18(24)11-28-19/h4-13,32H,1-3H3,(H,29,31)/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Antagonist activity at recombinant human P2X3 receptor expressed in Flp-In-293 cells assessed as inhibition of CTP-induced chloride current response ...				Bioorg Med Chem Lett 28: 1392-1396 (2018) Article DOI: 10.1016/j.bmcl.2018.02.039 BindingDB Entry DOI: 10.7270/Q25T3P36
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341931 (CHEMBL1765247 | cis-(5-(2-fluorophenyl)-1H-pyrazol...) Show SMILES O[C@@]1(CCN([C@@H]2CCCC[C@H]12)C(=O)c1cc(n[nH]1)-c1ccccc1F)c1ccccc1 |r| Show InChI InChI=1S/C25H26FN3O2/c26-20-12-6-4-10-18(20)21-16-22(28-27-21)24(30)29-15-14-25(31,17-8-2-1-3-9-17)19-11-5-7-13-23(19)29/h1-4,6,8-10,12,16,19,23,31H,5,7,11,13-15H2,(H,27,28)/t19-,23+,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50340318 ((R)-3-morpholino-N-(2,2,2-trifluoro-1-(pyridin-2-y...) Show SMILES FC(F)(F)[C@H](NC(=O)c1nc(N2CCOCC2)n2ccccc12)c1ccccn1 |r| Show InChI InChI=1S/C19H18F3N5O2/c20-19(21,22)16(13-5-1-3-7-23-13)25-17(28)15-14-6-2-4-8-27(14)18(24-15)26-9-11-29-12-10-26/h1-8,16H,9-12H2,(H,25,28)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP level				Bioorg Med Chem Lett 21: 2354-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.082 BindingDB Entry DOI: 10.7270/Q2C829MB
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50340317 (3-cyclopropyl-N-neopentylimidazo[1,5-a]pyridine-1-...) Show SMILES CC(C)(C)CNC(=O)c1nc(C2CC2)n2ccccc12 Show InChI InChI=1S/C16H21N3O/c1-16(2,3)10-17-15(20)13-12-6-4-5-9-19(12)14(18-13)11-7-8-11/h4-6,9,11H,7-8,10H2,1-3H3,(H,17,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP level				Bioorg Med Chem Lett 21: 2354-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.082 BindingDB Entry DOI: 10.7270/Q2C829MB
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341924 (CHEMBL1765156 | trans-((4R,4aS,8aS)-4-hydroxy-4-ph...) Show SMILES O[C@@]1(CCN([C@H]2CCCC[C@H]12)C(=O)c1cccc2[nH]ccc12)c1ccccc1 |r| Show InChI InChI=1S/C24H26N2O2/c27-23(19-9-6-11-21-18(19)13-15-25-21)26-16-14-24(28,17-7-2-1-3-8-17)20-10-4-5-12-22(20)26/h1-3,6-9,11,13,15,20,22,25,28H,4-5,10,12,14,16H2/t20-,22-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341922 (CHEMBL1765154 | trans-(4-chlorophenyl)((4R,4aS,8aS...) Show SMILES O[C@@]1(CCN([C@H]2CCCC[C@H]12)C(=O)c1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C22H24ClNO2/c23-18-12-10-16(11-13-18)21(25)24-15-14-22(26,17-6-2-1-3-7-17)19-8-4-5-9-20(19)24/h1-3,6-7,10-13,19-20,26H,4-5,8-9,14-15H2/t19-,20-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50460863 (CHEMBL4227228) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)-c1ccc(C)cn1)C1=NO[C@@H](C1)c1ccccn1)c1ccc(F)cn1 |r,t:20| Show InChI InChI=1S/C28H24FN5O2/c1-17-6-8-24(31-15-17)19-11-20(26-14-27(36-34-26)25-5-3-4-10-30-25)13-21(12-19)28(35)33-18(2)23-9-7-22(29)16-32-23/h3-13,15-16,18,27H,14H2,1-2H3,(H,33,35)/t18-,27+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Antagonist activity at recombinant human P2X3 receptor expressed in Flp-In-293 cells assessed as inhibition of CTP-induced chloride current response ...				Bioorg Med Chem Lett 28: 1392-1396 (2018) Article DOI: 10.1016/j.bmcl.2018.02.039 BindingDB Entry DOI: 10.7270/Q25T3P36
					More data for this Ligand-Target Pair

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