Compile Data Set for Download or QSAR

Found 194 hits with Last Name = 'botta' and Initial = 'l'   

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))	BDBM50272462 (CHEMBL525528 | N-(Adamant-1-yl)-7-fluoro-4-oxo-1-p...) Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(F)cc12 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17| Show InChI InChI=1S/C25H31FN2O2/c1-2-3-4-7-28-15-21(23(29)20-6-5-19(26)11-22(20)28)24(30)27-25-12-16-8-17(13-25)10-18(9-16)14-25/h5-6,11,15-18H,2-4,7-10,12-14H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK293 cells				J Med Chem 51: 5075-84 (2008) Article DOI: 10.1021/jm800552f BindingDB Entry DOI: 10.7270/Q20R9Q9B
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50272508 (CHEMBL507019 | N-(Adamant-1-yl)-4-oxo-1-pentyl-7-(...) Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(cc12)S(=O)(=O)c1ccccc1 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17| Show InChI InChI=1S/C31H36N2O4S/c1-2-3-7-12-33-20-27(30(35)32-31-17-21-13-22(18-31)15-23(14-21)19-31)29(34)26-11-10-25(16-28(26)33)38(36,37)24-8-5-4-6-9-24/h4-6,8-11,16,20-23H,2-3,7,12-15,17-19H2,1H3,(H,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK293 cells				J Med Chem 51: 5075-84 (2008) Article DOI: 10.1021/jm800552f BindingDB Entry DOI: 10.7270/Q20R9Q9B
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Homo sapiens (Human))	BDBM50541929 (CHEMBL1738785) Show SMILES Cn1cnc2n(C)c(=O)n(CCCn3c(=O)n(C)c4[nH]cnc4c3=O)c(=O)c12 Show InChI InChI=1S/C16H18N8O4/c1-20-8-19-12-10(20)14(26)24(16(28)22(12)3)6-4-5-23-13(25)9-11(18-7-17-9)21(2)15(23)27/h7-8H,4-6H2,1-3H3,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem		1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50272486 (CHEMBL498527 | N-(Adamant-1-yl)-4-oxo-1-pentyl-7-(...) Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(Sc3ccccc3)cc12 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17| Show InChI InChI=1S/C31H36N2O2S/c1-2-3-7-12-33-20-27(30(35)32-31-17-21-13-22(18-31)15-23(14-21)19-31)29(34)26-11-10-25(16-28(26)33)36-24-8-5-4-6-9-24/h4-6,8-11,16,20-23H,2-3,7,12-15,17-19H2,1H3,(H,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK293 cells				J Med Chem 51: 5075-84 (2008) Article DOI: 10.1021/jm800552f BindingDB Entry DOI: 10.7270/Q20R9Q9B
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50272424 (CHEMBL524456 | N-(Adamant-1-yl)-4-oxo-1-pentyl-6-(...) Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(Sc3ccccc3)ccc12 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17| Show InChI InChI=1S/C31H36N2O2S/c1-2-3-7-12-33-20-27(30(35)32-31-17-21-13-22(18-31)15-23(14-21)19-31)29(34)26-16-25(10-11-28(26)33)36-24-8-5-4-6-9-24/h4-6,8-11,16,20-23H,2-3,7,12-15,17-19H2,1H3,(H,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK293 cells				J Med Chem 51: 5075-84 (2008) Article DOI: 10.1021/jm800552f BindingDB Entry DOI: 10.7270/Q20R9Q9B
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50272509 (CHEMBL496659 | N-(Adamant-1-yl)-4-oxo-1-pentyl-7-(...) Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(cc12)S(=O)c1ccccc1 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17| Show InChI InChI=1S/C31H36N2O3S/c1-2-3-7-12-33-20-27(30(35)32-31-17-21-13-22(18-31)15-23(14-21)19-31)29(34)26-11-10-25(16-28(26)33)37(36)24-8-5-4-6-9-24/h4-6,8-11,16,20-23H,2-3,7,12-15,17-19H2,1H3,(H,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK293 cells				J Med Chem 51: 5075-84 (2008) Article DOI: 10.1021/jm800552f BindingDB Entry DOI: 10.7270/Q20R9Q9B
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50272461 (CHEMBL497321 | N-(Adamant-1-yl)-6-fluoro-4-oxo-1-p...) Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(F)c(cc12)-n1cccc1 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17| Show InChI InChI=1S/C29H34FN3O2/c1-2-3-4-9-33-18-23(28(35)31-29-15-19-10-20(16-29)12-21(11-19)17-29)27(34)22-13-24(30)26(14-25(22)33)32-7-5-6-8-32/h5-8,13-14,18-21H,2-4,9-12,15-17H2,1H3,(H,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK293 cells				J Med Chem 51: 5075-84 (2008) Article DOI: 10.1021/jm800552f BindingDB Entry DOI: 10.7270/Q20R9Q9B
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50272510 (CHEMBL523577 | N-(Adamant-1-yl)-4-oxo-1-pentyl-6-p...) Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1ccccc1 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17| Show InChI InChI=1S/C31H36N2O2/c1-2-3-7-12-33-20-27(30(35)32-31-17-21-13-22(18-31)15-23(14-21)19-31)29(34)26-16-25(10-11-28(26)33)24-8-5-4-6-9-24/h4-6,8-11,16,20-23H,2-3,7,12-15,17-19H2,1H3,(H,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK293 cells				J Med Chem 51: 5075-84 (2008) Article DOI: 10.1021/jm800552f BindingDB Entry DOI: 10.7270/Q20R9Q9B
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50180040 (4-Oxo-1-pentyl-1,4-dihydro-quinoline-3-carboxylic ...) Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccccc12 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17| Show InChI InChI=1S/C25H32N2O2/c1-2-3-6-9-27-16-21(23(28)20-7-4-5-8-22(20)27)24(29)26-25-13-17-10-18(14-25)12-19(11-17)15-25/h4-5,7-8,16-19H,2-3,6,9-15H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK293 cells				J Med Chem 51: 5075-84 (2008) Article DOI: 10.1021/jm800552f BindingDB Entry DOI: 10.7270/Q20R9Q9B
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50272486 (CHEMBL498527 | N-(Adamant-1-yl)-4-oxo-1-pentyl-7-(...) Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(Sc3ccccc3)cc12 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17| Show InChI InChI=1S/C31H36N2O2S/c1-2-3-7-12-33-20-27(30(35)32-31-17-21-13-22(18-31)15-23(14-21)19-31)29(34)26-11-10-25(16-28(26)33)36-24-8-5-4-6-9-24/h4-6,8-11,16,20-23H,2-3,7,12-15,17-19H2,1H3,(H,32,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells				J Med Chem 51: 5075-84 (2008) Article DOI: 10.1021/jm800552f BindingDB Entry DOI: 10.7270/Q20R9Q9B
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50180022 (5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...) Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1 |THB:21:22:26.25:28| Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK293 cells				J Med Chem 51: 5075-84 (2008) Article DOI: 10.1021/jm800552f BindingDB Entry DOI: 10.7270/Q20R9Q9B
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50272508 (CHEMBL507019 | N-(Adamant-1-yl)-4-oxo-1-pentyl-7-(...) Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(cc12)S(=O)(=O)c1ccccc1 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17| Show InChI InChI=1S/C31H36N2O4S/c1-2-3-7-12-33-20-27(30(35)32-31-17-21-13-22(18-31)15-23(14-21)19-31)29(34)26-11-10-25(16-28(26)33)38(36,37)24-8-5-4-6-9-24/h4-6,8-11,16,20-23H,2-3,7,12-15,17-19H2,1H3,(H,32,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells				J Med Chem 51: 5075-84 (2008) Article DOI: 10.1021/jm800552f BindingDB Entry DOI: 10.7270/Q20R9Q9B
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50272388 (6-Isopropyl-4-oxo-1-pentyl-1,4-dihydro-quinoline-3...) Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)C(C)C |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17| Show InChI InChI=1S/C28H38N2O2/c1-4-5-6-9-30-17-24(26(31)23-13-22(18(2)3)7-8-25(23)30)27(32)29-28-14-19-10-20(15-28)12-21(11-19)16-28/h7-8,13,17-21H,4-6,9-12,14-16H2,1-3H3,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK293 cells				J Med Chem 51: 5075-84 (2008) Article DOI: 10.1021/jm800552f BindingDB Entry DOI: 10.7270/Q20R9Q9B
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50272426 (CHEMBL498132 | N-(Adamant-1-yl)-1-allyl-5,8-dimeth...) Show SMILES COc1ccc(OC)c2c1n(CC=C)cc(C(=O)NC13CC4CC(CC(C4)C1)C3)c2=O |TLB:18:19:22:26.24.25,THB:24:23:20:26.25.27,24:25:22.23.28:20,27:25:22:28.19.20,27:19:22:26.24.25| Show InChI InChI=1S/C25H30N2O4/c1-4-7-27-14-18(23(28)21-19(30-2)5-6-20(31-3)22(21)27)24(29)26-25-11-15-8-16(12-25)10-17(9-15)13-25/h4-6,14-17H,1,7-13H2,2-3H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK293 cells				J Med Chem 51: 5075-84 (2008) Article DOI: 10.1021/jm800552f BindingDB Entry DOI: 10.7270/Q20R9Q9B
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50272391 (CHEMBL500415 | N-(Adamant-1-yl)-6-bromo-4-oxo-1-(p...) Show SMILES Brc1ccc2n(CCCC=C)cc(C(=O)NC34CC5CC(CC(C5)C3)C4)c(=O)c2c1 |TLB:15:16:19:23.21.22,THB:21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22| Show InChI InChI=1S/C25H29BrN2O2/c1-2-3-4-7-28-15-21(23(29)20-11-19(26)5-6-22(20)28)24(30)27-25-12-16-8-17(13-25)10-18(9-16)14-25/h2,5-6,11,15-18H,1,3-4,7-10,12-14H2,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK293 cells				J Med Chem 51: 5075-84 (2008) Article DOI: 10.1021/jm800552f BindingDB Entry DOI: 10.7270/Q20R9Q9B
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50272463 ((R)-7-Fluoro-4-oxo-1-pentyl-N-(1-phenylethyl)-1,4-...) Show SMILES CCCCCn1cc(C(=O)N[C@H](C)c2ccccc2)c(=O)c2ccc(F)cc12 |r| Show InChI InChI=1S/C23H25FN2O2/c1-3-4-8-13-26-15-20(22(27)19-12-11-18(24)14-21(19)26)23(28)25-16(2)17-9-6-5-7-10-17/h5-7,9-12,14-16H,3-4,8,13H2,1-2H3,(H,25,28)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK293 cells				J Med Chem 51: 5075-84 (2008) Article DOI: 10.1021/jm800552f BindingDB Entry DOI: 10.7270/Q20R9Q9B
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50272342 (CHEMBL524884 | N-(Adamant-1-yl)-4-oxo-1-pentyl-6-(...) Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)C(F)(F)F |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17| Show InChI InChI=1S/C26H31F3N2O2/c1-2-3-4-7-31-15-21(23(32)20-11-19(26(27,28)29)5-6-22(20)31)24(33)30-25-12-16-8-17(13-25)10-18(9-16)14-25/h5-6,11,15-18H,2-4,7-10,12-14H2,1H3,(H,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK293 cells				J Med Chem 51: 5075-84 (2008) Article DOI: 10.1021/jm800552f BindingDB Entry DOI: 10.7270/Q20R9Q9B
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM21278 (5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells				J Med Chem 51: 5075-84 (2008) Article DOI: 10.1021/jm800552f BindingDB Entry DOI: 10.7270/Q20R9Q9B
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50272463 ((R)-7-Fluoro-4-oxo-1-pentyl-N-(1-phenylethyl)-1,4-...) Show SMILES CCCCCn1cc(C(=O)N[C@H](C)c2ccccc2)c(=O)c2ccc(F)cc12 |r| Show InChI InChI=1S/C23H25FN2O2/c1-3-4-8-13-26-15-20(22(27)19-12-11-18(24)14-21(19)26)23(28)25-16(2)17-9-6-5-7-10-17/h5-7,9-12,14-16H,3-4,8,13H2,1-2H3,(H,25,28)/t16-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells				J Med Chem 51: 5075-84 (2008) Article DOI: 10.1021/jm800552f BindingDB Entry DOI: 10.7270/Q20R9Q9B
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50272423 (CHEMBL498297 | N-(Adamant-1-yl)-6-bromo-4-oxo-1-pe...) Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(Br)ccc12 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17| Show InChI InChI=1S/C25H31BrN2O2/c1-2-3-4-7-28-15-21(23(29)20-11-19(26)5-6-22(20)28)24(30)27-25-12-16-8-17(13-25)10-18(9-16)14-25/h5-6,11,15-18H,2-4,7-10,12-14H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK293 cells				J Med Chem 51: 5075-84 (2008) Article DOI: 10.1021/jm800552f BindingDB Entry DOI: 10.7270/Q20R9Q9B
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50272390 (CHEMBL500414 | N-(Adamant-1-yl)-6-(3-chloro-4-fluo...) Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(Oc3ccc(F)c(Cl)c3)ccc12 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17| Show InChI InChI=1S/C31H34ClFN2O3/c1-2-3-4-9-35-18-25(30(37)34-31-15-19-10-20(16-31)12-21(11-19)17-31)29(36)24-13-22(6-8-28(24)35)38-23-5-7-27(33)26(32)14-23/h5-8,13-14,18-21H,2-4,9-12,15-17H2,1H3,(H,34,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	16.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK293 cells				J Med Chem 51: 5075-84 (2008) Article DOI: 10.1021/jm800552f BindingDB Entry DOI: 10.7270/Q20R9Q9B
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50272464 ((R)-4-Oxo-1-pentyl-N-(1-phenylethyl)-7-(pyrrolidin...) Show SMILES CCCCCn1cc(C(=O)N[C@H](C)c2ccccc2)c(=O)c2ccc(cc12)N1CCCC1 |r| Show InChI InChI=1S/C27H33N3O2/c1-3-4-8-17-30-19-24(27(32)28-20(2)21-11-6-5-7-12-21)26(31)23-14-13-22(18-25(23)30)29-15-9-10-16-29/h5-7,11-14,18-20H,3-4,8-10,15-17H2,1-2H3,(H,28,32)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK293 cells				J Med Chem 51: 5075-84 (2008) Article DOI: 10.1021/jm800552f BindingDB Entry DOI: 10.7270/Q20R9Q9B
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50272389 (CHEMBL526153 | N-(Adamant-1-yl)-6-bromo-1-(but-3-e...) Show SMILES Brc1ccc2n(CCC=C)cc(C(=O)NC34CC5CC(CC(C5)C3)C4)c(=O)c2c1 |TLB:14:15:18:22.20.21,THB:20:19:16:22.21.23,20:21:18.19.24:16,23:21:18:24.15.16,23:15:18:22.20.21| Show InChI InChI=1S/C24H27BrN2O2/c1-2-3-6-27-14-20(22(28)19-10-18(25)4-5-21(19)27)23(29)26-24-11-15-7-16(12-24)9-17(8-15)13-24/h2,4-5,10,14-17H,1,3,6-9,11-13H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK293 cells				J Med Chem 51: 5075-84 (2008) Article DOI: 10.1021/jm800552f BindingDB Entry DOI: 10.7270/Q20R9Q9B
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50272485 ((R)-7-Ethoxy-4-oxo-1-pentyl-N-(1-phenylethyl)-1,4-...) Show SMILES CCCCCn1cc(C(=O)N[C@H](C)c2ccccc2)c(=O)c2ccc(OCC)cc12 |r| Show InChI InChI=1S/C25H30N2O3/c1-4-6-10-15-27-17-22(25(29)26-18(3)19-11-8-7-9-12-19)24(28)21-14-13-20(30-5-2)16-23(21)27/h7-9,11-14,16-18H,4-6,10,15H2,1-3H3,(H,26,29)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK293 cells				J Med Chem 51: 5075-84 (2008) Article DOI: 10.1021/jm800552f BindingDB Entry DOI: 10.7270/Q20R9Q9B
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50272341 (CHEMBL500925 | N-(Adamant-1-yl)-7-chloro-8-methyl-...) Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(Cl)c(C)c12 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17| Show InChI InChI=1S/C26H33ClN2O2/c1-3-4-5-8-29-15-21(24(30)20-6-7-22(27)16(2)23(20)29)25(31)28-26-12-17-9-18(13-26)11-19(10-17)14-26/h6-7,15,17-19H,3-5,8-14H2,1-2H3,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK293 cells				J Med Chem 51: 5075-84 (2008) Article DOI: 10.1021/jm800552f BindingDB Entry DOI: 10.7270/Q20R9Q9B
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50272509 (CHEMBL496659 | N-(Adamant-1-yl)-4-oxo-1-pentyl-7-(...) Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(cc12)S(=O)c1ccccc1 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17| Show InChI InChI=1S/C31H36N2O3S/c1-2-3-7-12-33-20-27(30(35)32-31-17-21-13-22(18-31)15-23(14-21)19-31)29(34)26-11-10-25(16-28(26)33)37(36)24-8-5-4-6-9-24/h4-6,8-11,16,20-23H,2-3,7,12-15,17-19H2,1H3,(H,32,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells				J Med Chem 51: 5075-84 (2008) Article DOI: 10.1021/jm800552f BindingDB Entry DOI: 10.7270/Q20R9Q9B
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50272485 ((R)-7-Ethoxy-4-oxo-1-pentyl-N-(1-phenylethyl)-1,4-...) Show SMILES CCCCCn1cc(C(=O)N[C@H](C)c2ccccc2)c(=O)c2ccc(OCC)cc12 |r| Show InChI InChI=1S/C25H30N2O3/c1-4-6-10-15-27-17-22(25(29)26-18(3)19-11-8-7-9-12-19)24(28)21-14-13-20(30-5-2)16-23(21)27/h7-9,11-14,16-18H,4-6,10,15H2,1-3H3,(H,26,29)/t18-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells				J Med Chem 51: 5075-84 (2008) Article DOI: 10.1021/jm800552f BindingDB Entry DOI: 10.7270/Q20R9Q9B
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50272462 (CHEMBL525528 | N-(Adamant-1-yl)-7-fluoro-4-oxo-1-p...) Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(F)cc12 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17| Show InChI InChI=1S/C25H31FN2O2/c1-2-3-4-7-28-15-21(23(29)20-6-5-19(26)11-22(20)28)24(30)27-25-12-16-8-17(13-25)10-18(9-16)14-25/h5-6,11,15-18H,2-4,7-10,12-14H2,1H3,(H,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells				J Med Chem 51: 5075-84 (2008) Article DOI: 10.1021/jm800552f BindingDB Entry DOI: 10.7270/Q20R9Q9B
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM24498 (3-(3-fluoro-4-{[2-(1-methyl-1H-imidazol-4-yl)thien...) Show SMILES Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1 Show InChI InChI=1S/C26H20FN5O2S2/c1-32-14-20(29-15-32)23-13-19-25(36-23)22(9-10-28-19)34-21-8-7-17(12-18(21)27)30-26(35)31-24(33)11-16-5-3-2-4-6-16/h2-10,12-15H,11H2,1H3,(H2,30,31,33,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Oncologia Medica, Dipartimento Medico-Chirurgico di Internistica Clinica e Sperimentale"F. Magrassi e A. Lanzara", Università della Campania"Luigi Vanvitelli" , Via Pansini 6, 801 Curated by ChEMBL					Assay Description Displacement of [3H]-cyclopamine from human wild-type SMO receptor expressed in HEK293T cell membranes by liquid scintillation spectrometry				J Med Chem 60: 7447-7458 (2017) Article DOI: 10.1021/acs.jmedchem.7b00794 BindingDB Entry DOI: 10.7270/Q22B91GS
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50180040 (4-Oxo-1-pentyl-1,4-dihydro-quinoline-3-carboxylic ...) Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccccc12 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17| Show InChI InChI=1S/C25H32N2O2/c1-2-3-6-9-27-16-21(23(28)20-7-4-5-8-22(20)27)24(29)26-25-13-17-10-18(14-25)12-19(11-17)15-25/h4-5,7-8,16-19H,2-3,6,9-15H2,1H3,(H,26,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells				J Med Chem 51: 5075-84 (2008) Article DOI: 10.1021/jm800552f BindingDB Entry DOI: 10.7270/Q20R9Q9B
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50272425 (CHEMBL498131 | N-(Adamant-1-yl)-5,8-dimethoxy-4-ox...) Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2c(OC)ccc(OC)c12 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17| Show InChI InChI=1S/C27H36N2O4/c1-4-5-6-9-29-16-20(25(30)23-21(32-2)7-8-22(33-3)24(23)29)26(31)28-27-13-17-10-18(14-27)12-19(11-17)15-27/h7-8,16-19H,4-6,9-15H2,1-3H3,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK293 cells				J Med Chem 51: 5075-84 (2008) Article DOI: 10.1021/jm800552f BindingDB Entry DOI: 10.7270/Q20R9Q9B
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50272546 ((E)-N-(Adamant-1-yl)-6-[2-(4-methoxyphenyl)vinyl]-...) Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(\C=C\c3ccc(OC)cc3)ccc12 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17| Show InChI InChI=1S/C34H40N2O3/c1-3-4-5-14-36-22-30(33(38)35-34-19-25-15-26(20-34)17-27(16-25)21-34)32(37)29-18-24(10-13-31(29)36)7-6-23-8-11-28(39-2)12-9-23/h6-13,18,22,25-27H,3-5,14-17,19-21H2,1-2H3,(H,35,38)/b7-6+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	55.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK293 cells				J Med Chem 51: 5075-84 (2008) Article DOI: 10.1021/jm800552f BindingDB Entry DOI: 10.7270/Q20R9Q9B
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50399540 (FORETINIB | US10464902, Foretinib | US10882853, Co...) Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Oncologia Medica, Dipartimento Medico-Chirurgico di Internistica Clinica e Sperimentale"F. Magrassi e A. Lanzara", Università della Campania"Luigi Vanvitelli" , Via Pansini 6, 801 Curated by ChEMBL					Assay Description Displacement of [3H]-cyclopamine from human wild-type SMO receptor expressed in HEK293T cell membranes by liquid scintillation spectrometry				J Med Chem 60: 7447-7458 (2017) Article DOI: 10.1021/acs.jmedchem.7b00794 BindingDB Entry DOI: 10.7270/Q22B91GS
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Fyn (Homo sapiens (Human))	BDBM50089575 (CHEMBL3578214) Show SMILES Nc1ncnc2n(CC(Cl)c3ccccc3)nc(-c3ccc(Cl)cc3)c12 Show InChI InChI=1S/C19H15Cl2N5/c20-14-8-6-13(7-9-14)17-16-18(22)23-11-24-19(16)26(25-17)10-15(21)12-4-2-1-3-5-12/h1-9,11,15H,10H2,(H2,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length Fyn using Src substrate peptide after 15 mins incubation by MicroBeta liquid scintillation counting analy...				J Med Chem 58: 4590-609 (2015) Article DOI: 10.1021/acs.jmedchem.5b00140 BindingDB Entry DOI: 10.7270/Q29025HZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Fyn (Homo sapiens (Human))	BDBM50089569 (CHEMBL3578215) Show SMILES Cc1ccc(cc1)-c1nn(CC(Cl)c2ccccc2)c2ncnc(N)c12 Show InChI InChI=1S/C20H18ClN5/c1-13-7-9-15(10-8-13)18-17-19(22)23-12-24-20(17)26(25-18)11-16(21)14-5-3-2-4-6-14/h2-10,12,16H,11H2,1H3,(H2,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length Fyn using Src substrate peptide after 15 mins incubation by MicroBeta liquid scintillation counting analy...				J Med Chem 58: 4590-609 (2015) Article DOI: 10.1021/acs.jmedchem.5b00140 BindingDB Entry DOI: 10.7270/Q29025HZ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50272461 (CHEMBL497321 | N-(Adamant-1-yl)-6-fluoro-4-oxo-1-p...) Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(F)c(cc12)-n1cccc1 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17| Show InChI InChI=1S/C29H34FN3O2/c1-2-3-4-9-33-18-23(28(35)31-29-15-19-10-20(16-29)12-21(11-19)17-29)27(34)22-13-24(30)26(14-25(22)33)32-7-5-6-8-32/h5-8,13-14,18-21H,2-4,9-12,15-17H2,1H3,(H,31,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells				J Med Chem 51: 5075-84 (2008) Article DOI: 10.1021/jm800552f BindingDB Entry DOI: 10.7270/Q20R9Q9B
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50272464 ((R)-4-Oxo-1-pentyl-N-(1-phenylethyl)-7-(pyrrolidin...) Show SMILES CCCCCn1cc(C(=O)N[C@H](C)c2ccccc2)c(=O)c2ccc(cc12)N1CCCC1 |r| Show InChI InChI=1S/C27H33N3O2/c1-3-4-8-17-30-19-24(27(32)28-20(2)21-11-6-5-7-12-21)26(31)23-14-13-22(18-25(23)30)29-15-9-10-16-29/h5-7,11-14,18-20H,3-4,8-10,15-17H2,1-2H3,(H,28,32)/t20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells				J Med Chem 51: 5075-84 (2008) Article DOI: 10.1021/jm800552f BindingDB Entry DOI: 10.7270/Q20R9Q9B
					More data for this Ligand-Target Pair
Acidic mammalian chitinase (Homo sapiens (Human))	BDBM50541929 (CHEMBL1738785) Show SMILES Cn1cnc2n(C)c(=O)n(CCCn3c(=O)n(C)c4[nH]cnc4c3=O)c(=O)c12 Show InChI InChI=1S/C16H18N8O4/c1-20-8-19-12-10(20)14(26)24(16(28)22(12)3)6-4-5-23-13(25)9-11(18-7-17-9)21(2)15(23)27/h7-8H,4-6H2,1-3H3,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase Fyn (Homo sapiens (Human))	BDBM50089576 (CHEMBL3578213) Show SMILES Nc1ncnc2n(CC(Cl)c3ccccc3)nc(-c3ccc(F)cc3)c12 Show InChI InChI=1S/C19H15ClFN5/c20-15(12-4-2-1-3-5-12)10-26-19-16(18(22)23-11-24-19)17(25-26)13-6-8-14(21)9-7-13/h1-9,11,15H,10H2,(H2,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length Fyn using Src substrate peptide after 15 mins incubation by MicroBeta liquid scintillation counting analy...				J Med Chem 58: 4590-609 (2015) Article DOI: 10.1021/acs.jmedchem.5b00140 BindingDB Entry DOI: 10.7270/Q29025HZ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50230317 (CHEMBL4091022) Show SMILES CSc1nc(NCc2ccccc2)c2ccn(Cc3ccc(F)cc3)c2n1 Show InChI InChI=1S/C21H19FN4S/c1-27-21-24-19(23-13-15-5-3-2-4-6-15)18-11-12-26(20(18)25-21)14-16-7-9-17(22)10-8-16/h2-12H,13-14H2,1H3,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Genova Curated by ChEMBL					Assay Description Inhibition of human recombinant full length N-terminal His6-tagged Src expressed in Sf21 cells using KVEKIGEGTYGVVYK as substrate after 10 mins in pr...				Eur J Med Chem 127: 369-378 (2017) Article DOI: 10.1016/j.ejmech.2016.12.036 BindingDB Entry DOI: 10.7270/Q2959KTB
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50272424 (CHEMBL524456 | N-(Adamant-1-yl)-4-oxo-1-pentyl-6-(...) Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(Sc3ccccc3)ccc12 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17| Show InChI InChI=1S/C31H36N2O2S/c1-2-3-7-12-33-20-27(30(35)32-31-17-21-13-22(18-31)15-23(14-21)19-31)29(34)26-16-25(10-11-28(26)33)36-24-8-5-4-6-9-24/h4-6,8-11,16,20-23H,2-3,7,12-15,17-19H2,1H3,(H,32,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells				J Med Chem 51: 5075-84 (2008) Article DOI: 10.1021/jm800552f BindingDB Entry DOI: 10.7270/Q20R9Q9B
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50272391 (CHEMBL500415 | N-(Adamant-1-yl)-6-bromo-4-oxo-1-(p...) Show SMILES Brc1ccc2n(CCCC=C)cc(C(=O)NC34CC5CC(CC(C5)C3)C4)c(=O)c2c1 |TLB:15:16:19:23.21.22,THB:21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22| Show InChI InChI=1S/C25H29BrN2O2/c1-2-3-4-7-28-15-21(23(29)20-11-19(26)5-6-22(20)28)24(30)27-25-12-16-8-17(13-25)10-18(9-16)14-25/h2,5-6,11,15-18H,1,3-4,7-10,12-14H2,(H,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	696	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells				J Med Chem 51: 5075-84 (2008) Article DOI: 10.1021/jm800552f BindingDB Entry DOI: 10.7270/Q20R9Q9B
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50230313 (CHEMBL4068876) Show SMILES CSc1nc(Nc2cccc(Cl)c2)c2ccn(CC(Cl)c3ccccc3)c2n1 Show InChI InChI=1S/C21H18Cl2N4S/c1-28-21-25-19(24-16-9-5-8-15(22)12-16)17-10-11-27(20(17)26-21)13-18(23)14-6-3-2-4-7-14/h2-12,18H,13H2,1H3,(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Genova Curated by ChEMBL					Assay Description Inhibition of human recombinant full length N-terminal His6-tagged Src expressed in Sf21 cells using KVEKIGEGTYGVVYK as substrate after 10 mins in pr...				Eur J Med Chem 127: 369-378 (2017) Article DOI: 10.1016/j.ejmech.2016.12.036 BindingDB Entry DOI: 10.7270/Q2959KTB
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50272390 (CHEMBL500414 | N-(Adamant-1-yl)-6-(3-chloro-4-fluo...) Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(Oc3ccc(F)c(Cl)c3)ccc12 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17| Show InChI InChI=1S/C31H34ClFN2O3/c1-2-3-4-9-35-18-25(30(37)34-31-15-19-10-20(16-31)12-21(11-19)17-31)29(36)24-13-22(6-8-28(24)35)38-23-5-7-27(33)26(32)14-23/h5-8,13-14,18-21H,2-4,9-12,15-17H2,1H3,(H,34,37)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	739	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells				J Med Chem 51: 5075-84 (2008) Article DOI: 10.1021/jm800552f BindingDB Entry DOI: 10.7270/Q20R9Q9B
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21278 (5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK293 cells				J Med Chem 51: 5075-84 (2008) Article DOI: 10.1021/jm800552f BindingDB Entry DOI: 10.7270/Q20R9Q9B
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50230311 (CHEMBL4063136) Show SMILES CSc1nc(NCCc2ccccc2)c2ccn(Cc3ccc(F)cc3)c2n1 Show InChI InChI=1S/C22H21FN4S/c1-28-22-25-20(24-13-11-16-5-3-2-4-6-16)19-12-14-27(21(19)26-22)15-17-7-9-18(23)10-8-17/h2-10,12,14H,11,13,15H2,1H3,(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Genova Curated by ChEMBL					Assay Description Inhibition of human recombinant full length N-terminal His6-tagged Src expressed in Sf21 cells using KVEKIGEGTYGVVYK as substrate after 10 mins in pr...				Eur J Med Chem 127: 369-378 (2017) Article DOI: 10.1016/j.ejmech.2016.12.036 BindingDB Entry DOI: 10.7270/Q2959KTB
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Fyn (Homo sapiens (Human))	BDBM50089573 (CHEMBL3578218) Show SMILES CC(Cn1nc(-c2ccc(Cl)cc2)c2c(N)ncnc12)c1ccccc1 Show InChI InChI=1S/C20H18ClN5/c1-13(14-5-3-2-4-6-14)11-26-20-17(19(22)23-12-24-20)18(25-26)15-7-9-16(21)10-8-15/h2-10,12-13H,11H2,1H3,(H2,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length Fyn using Src substrate peptide after 15 mins incubation by MicroBeta liquid scintillation counting analy...				J Med Chem 58: 4590-609 (2015) Article DOI: 10.1021/acs.jmedchem.5b00140 BindingDB Entry DOI: 10.7270/Q29025HZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Fyn (Homo sapiens (Human))	BDBM50089577 (CHEMBL3578212) Show SMILES Nc1ncnc2n(CC(Cl)c3ccccc3)nc(-c3ccccc3)c12 Show InChI InChI=1S/C19H16ClN5/c20-15(13-7-3-1-4-8-13)11-25-19-16(18(21)22-12-23-19)17(24-25)14-9-5-2-6-10-14/h1-10,12,15H,11H2,(H2,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length Fyn using Src substrate peptide after 15 mins incubation by MicroBeta liquid scintillation counting analy...				J Med Chem 58: 4590-609 (2015) Article DOI: 10.1021/acs.jmedchem.5b00140 BindingDB Entry DOI: 10.7270/Q29025HZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Fyn (Homo sapiens (Human))	BDBM50089568 (CHEMBL3578219) Show SMILES CC(Cn1nc(-c2ccc(C)cc2)c2c(N)ncnc12)c1ccccc1 Show InChI InChI=1S/C21H21N5/c1-14-8-10-17(11-9-14)19-18-20(22)23-13-24-21(18)26(25-19)12-15(2)16-6-4-3-5-7-16/h3-11,13,15H,12H2,1-2H3,(H2,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	995	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length Fyn using Src substrate peptide after 15 mins incubation by MicroBeta liquid scintillation counting analy...				J Med Chem 58: 4590-609 (2015) Article DOI: 10.1021/acs.jmedchem.5b00140 BindingDB Entry DOI: 10.7270/Q29025HZ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50272423 (CHEMBL498297 | N-(Adamant-1-yl)-6-bromo-4-oxo-1-pe...) Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(Br)ccc12 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17| Show InChI InChI=1S/C25H31BrN2O2/c1-2-3-4-7-28-15-21(23(29)20-11-19(26)5-6-22(20)28)24(30)27-25-12-16-8-17(13-25)10-18(9-16)14-25/h5-6,11,15-18H,2-4,7-10,12-14H2,1H3,(H,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	996	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells				J Med Chem 51: 5075-84 (2008) Article DOI: 10.1021/jm800552f BindingDB Entry DOI: 10.7270/Q20R9Q9B
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 194 total )  |  Next  |  Last  >>

Jump to: