Compile Data Set for Download or QSAR

Found 178 hits with Last Name = 'bianchi' and Initial = 'a'   

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))	BDBM50472720 (CHEMBL41721) Show SMILES [H][C@]12CC(CO)=CCC1C(C)(C)Oc1cc(cc(O)c21)C(C)(C)CCCCCC |c:5| Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity towards cloned human cannabinoid receptor 2				J Med Chem 43: 2300-9 (2000) Article DOI: 10.1021/jm991074s BindingDB Entry DOI: 10.7270/Q27H1N97
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50072775 (2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...) Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r| Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity towards cloned human Cannabinoid receptor 1				J Med Chem 43: 2300-9 (2000) Article DOI: 10.1021/jm991074s BindingDB Entry DOI: 10.7270/Q27H1N97
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50472720 (CHEMBL41721) Show SMILES [H][C@]12CC(CO)=CCC1C(C)(C)Oc1cc(cc(O)c21)C(C)(C)CCCCCC |c:5| Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20?/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity towards cloned human Cannabinoid receptor 1				J Med Chem 43: 2300-9 (2000) Article DOI: 10.1021/jm991074s BindingDB Entry DOI: 10.7270/Q27H1N97
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50072775 (2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...) Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r| Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity towards cloned human cannabinoid receptor 2				J Med Chem 43: 2300-9 (2000) Article DOI: 10.1021/jm991074s BindingDB Entry DOI: 10.7270/Q27H1N97
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM21281 ((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...) Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity towards cloned human Cannabinoid receptor 1				J Med Chem 43: 2300-9 (2000) Article DOI: 10.1021/jm991074s BindingDB Entry DOI: 10.7270/Q27H1N97
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50284000 ((2-Methyl-1-pentyl-1H-indol-3-yl)-naphthalen-1-yl-...) Show SMILES CCCCCn1c(C)c(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C25H25NO/c1-3-4-9-17-26-18(2)24(22-14-7-8-16-23(22)26)25(27)21-15-10-12-19-11-5-6-13-20(19)21/h5-8,10-16H,3-4,9,17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity towards cloned human cannabinoid receptor 2				J Med Chem 43: 2300-9 (2000) Article DOI: 10.1021/jm991074s BindingDB Entry DOI: 10.7270/Q27H1N97
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21281 ((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...) Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity towards cloned human cannabinoid receptor 2				J Med Chem 43: 2300-9 (2000) Article DOI: 10.1021/jm991074s BindingDB Entry DOI: 10.7270/Q27H1N97
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50060617 ((5Z,8Z,11Z,14Z)-2-Methyl-icosa-5,8,11,14-tetraenoi...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCC(C)C(=O)NCCF Show InChI InChI=1S/C23H38FNO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)23(26)25-21-20-24/h7-8,10-11,13-14,16-17,22H,3-6,9,12,15,18-21H2,1-2H3,(H,25,26)/b8-7-,11-10-,14-13-,17-16-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity towards cloned human Cannabinoid receptor 1				J Med Chem 43: 2300-9 (2000) Article DOI: 10.1021/jm991074s BindingDB Entry DOI: 10.7270/Q27H1N97
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50072757 ((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid (2...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCF Show InChI InChI=1S/C22H36FNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)24-21-20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,24,25)/b7-6-,10-9-,13-12-,16-15-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity towards cloned human Cannabinoid receptor 1				J Med Chem 43: 2300-9 (2000) Article DOI: 10.1021/jm991074s BindingDB Entry DOI: 10.7270/Q27H1N97
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50472724 (5''-F-delta8-THC | CHEMBL75330) Show SMILES CC1=CCC2C(C1)c1c(O)cc(CCCCCF)cc1OC2(C)C |t:1| Show InChI InChI=1S/C21H29FO2/c1-14-8-9-17-16(11-14)20-18(23)12-15(7-5-4-6-10-22)13-19(20)24-21(17,2)3/h8,12-13,16-17,23H,4-7,9-11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity towards cloned human cannabinoid receptor 2				J Med Chem 43: 2300-9 (2000) Article DOI: 10.1021/jm991074s BindingDB Entry DOI: 10.7270/Q27H1N97
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50284000 ((2-Methyl-1-pentyl-1H-indol-3-yl)-naphthalen-1-yl-...) Show SMILES CCCCCn1c(C)c(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C25H25NO/c1-3-4-9-17-26-18(2)24(22-14-7-8-16-23(22)26)25(27)21-15-10-12-19-11-5-6-13-20(19)21/h5-8,10-16H,3-4,9,17H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity towards cloned human Cannabinoid receptor 1				J Med Chem 43: 2300-9 (2000) Article DOI: 10.1021/jm991074s BindingDB Entry DOI: 10.7270/Q27H1N97
					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£ di Catania Curated by ChEMBL					Assay Description Binding affinity towards cloned human Cannabinoid receptor 1				J Med Chem 43: 2300-9 (2000) Article DOI: 10.1021/jm991074s BindingDB Entry DOI: 10.7270/Q27H1N97
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21282 (2-methyl-3-(naphthalen-1-ylcarbonyl)-1-propyl-1H-i...) Show SMILES CCCn1c(C)c(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C23H21NO/c1-3-15-24-16(2)22(20-12-6-7-14-21(20)24)23(25)19-13-8-10-17-9-4-5-11-18(17)19/h4-14H,3,15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity towards cloned human cannabinoid receptor 2				J Med Chem 43: 2300-9 (2000) Article DOI: 10.1021/jm991074s BindingDB Entry DOI: 10.7270/Q27H1N97
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50472721 (5''-F3-delta8-THC | CHEMBL74662) Show SMILES CC1=CCC2C(C1)c1c(O)cc(CCCCC(F)(F)F)cc1OC2(C)C |t:1| Show InChI InChI=1S/C21H27F3O2/c1-13-7-8-16-15(10-13)19-17(25)11-14(6-4-5-9-21(22,23)24)12-18(19)26-20(16,2)3/h7,11-12,15-16,25H,4-6,8-10H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity towards cloned human Cannabinoid receptor 1				J Med Chem 43: 2300-9 (2000) Article DOI: 10.1021/jm991074s BindingDB Entry DOI: 10.7270/Q27H1N97
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21244 (2-[(1S,2S,5S)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...) Show SMILES CCCCCCC(C)(C)c1ccc([C@H]2C[C@@H](O)CC[C@@H]2CCCO)c(O)c1 Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity towards cloned human cannabinoid receptor 2				J Med Chem 43: 2300-9 (2000) Article DOI: 10.1021/jm991074s BindingDB Entry DOI: 10.7270/Q27H1N97
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM13211 ((3S,6S,9aS)-6-[(2S)-2-aminobutanamido]-N-(diphenyl...) Show SMILES CC[C@H](N)C(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C27H34N4O3/c1-2-21(28)25(32)29-22-15-9-14-20-16-17-23(31(20)27(22)34)26(33)30-24(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,20-24H,2,9,14-17,28H2,1H3,(H,29,32)(H,30,33)/t20-,21-,22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	25	-43.1	460	n/a	n/a	n/a	n/a	7.5	23
Universita degli Studi di Milano					Assay Description Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...				Bioorg Med Chem 17: 5834-56 (2009) Article DOI: 10.1016/j.bmc.2009.07.009 BindingDB Entry DOI: 10.7270/Q28W3BNV
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50472721 (5''-F3-delta8-THC | CHEMBL74662) Show SMILES CC1=CCC2C(C1)c1c(O)cc(CCCCC(F)(F)F)cc1OC2(C)C |t:1| Show InChI InChI=1S/C21H27F3O2/c1-13-7-8-16-15(10-13)19-17(25)11-14(6-4-5-9-21(22,23)24)12-18(19)26-20(16,2)3/h7,11-12,15-16,25H,4-6,8-10H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity towards cloned human cannabinoid receptor 2				J Med Chem 43: 2300-9 (2000) Article DOI: 10.1021/jm991074s BindingDB Entry DOI: 10.7270/Q27H1N97
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM60994 ((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...) Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity towards cloned human cannabinoid receptor 2				J Med Chem 43: 2300-9 (2000) Article DOI: 10.1021/jm991074s BindingDB Entry DOI: 10.7270/Q27H1N97
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM60994 ((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...) Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity towards cloned human Cannabinoid receptor 1				J Med Chem 43: 2300-9 (2000) Article DOI: 10.1021/jm991074s BindingDB Entry DOI: 10.7270/Q27H1N97
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50472724 (5''-F-delta8-THC | CHEMBL75330) Show SMILES CC1=CCC2C(C1)c1c(O)cc(CCCCCF)cc1OC2(C)C |t:1| Show InChI InChI=1S/C21H29FO2/c1-14-8-9-17-16(11-14)20-18(23)12-15(7-5-4-6-10-22)13-19(20)24-21(17,2)3/h8,12-13,16-17,23H,4-7,9-11H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity towards cloned human Cannabinoid receptor 1				J Med Chem 43: 2300-9 (2000) Article DOI: 10.1021/jm991074s BindingDB Entry DOI: 10.7270/Q27H1N97
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM13212 ((3S,6S,9aS)-N-(diphenylmethyl)-6-[(2S)-2-(methylam...) Show SMILES CC[C@H](NC)C(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C28H36N4O3/c1-3-22(29-2)26(33)30-23-16-10-15-21-17-18-24(32(21)28(23)35)27(34)31-25(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-9,11-14,21-25,29H,3,10,15-18H2,1-2H3,(H,30,33)(H,31,34)/t21-,22-,23-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	61	-40.9	530	n/a	n/a	n/a	n/a	7.5	23
Universita degli Studi di Milano					Assay Description Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...				Bioorg Med Chem 17: 5834-56 (2009) Article DOI: 10.1016/j.bmc.2009.07.009 BindingDB Entry DOI: 10.7270/Q28W3BNV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM21244 (2-[(1S,2S,5S)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...) Show SMILES CCCCCCC(C)(C)c1ccc([C@H]2C[C@@H](O)CC[C@@H]2CCCO)c(O)c1 Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity towards cloned human Cannabinoid receptor 1				J Med Chem 43: 2300-9 (2000) Article DOI: 10.1021/jm991074s BindingDB Entry DOI: 10.7270/Q27H1N97
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50080102 (CHEMBL71810 | JWH-030 | Naphthalen-1-yl-(1-pentyl-...) Show SMILES CCCCCn1ccc(c1)C(=O)c1cccc2ccccc12 Show InChI InChI=1S/C20H21NO/c1-2-3-6-13-21-14-12-17(15-21)20(22)19-11-7-9-16-8-4-5-10-18(16)19/h4-5,7-12,14-15H,2-3,6,13H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity towards cloned human Cannabinoid receptor 1				J Med Chem 43: 2300-9 (2000) Article DOI: 10.1021/jm991074s BindingDB Entry DOI: 10.7270/Q27H1N97
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM22988 ((5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCO Show InChI InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity towards cloned human Cannabinoid receptor 1				J Med Chem 43: 2300-9 (2000) Article DOI: 10.1021/jm991074s BindingDB Entry DOI: 10.7270/Q27H1N97
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50061117 (6,6,9-Trimethyl-3-pentyl-6H-benzo[c]chromen-1-ol |...) Show SMILES CCCCCc1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1 Show InChI InChI=1S/C21H26O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9-13,22H,5-8H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity towards cloned human cannabinoid receptor 2				J Med Chem 43: 2300-9 (2000) Article DOI: 10.1021/jm991074s BindingDB Entry DOI: 10.7270/Q27H1N97
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50060617 ((5Z,8Z,11Z,14Z)-2-Methyl-icosa-5,8,11,14-tetraenoi...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCC(C)C(=O)NCCF Show InChI InChI=1S/C23H38FNO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)23(26)25-21-20-24/h7-8,10-11,13-14,16-17,22H,3-6,9,12,15,18-21H2,1-2H3,(H,25,26)/b8-7-,11-10-,14-13-,17-16-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity towards cloned human cannabinoid receptor 2				J Med Chem 43: 2300-9 (2000) Article DOI: 10.1021/jm991074s BindingDB Entry DOI: 10.7270/Q27H1N97
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50038644 ((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid (2...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NC(C)CO Show InChI InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(26)24-22(2)21-25/h7-8,10-11,13-14,16-17,22,25H,3-6,9,12,15,18-21H2,1-2H3,(H,24,26)/b8-7-,11-10-,14-13-,17-16-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity towards cloned human Cannabinoid receptor 1				J Med Chem 43: 2300-9 (2000) Article DOI: 10.1021/jm991074s BindingDB Entry DOI: 10.7270/Q27H1N97
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50061117 (6,6,9-Trimethyl-3-pentyl-6H-benzo[c]chromen-1-ol |...) Show SMILES CCCCCc1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1 Show InChI InChI=1S/C21H26O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9-13,22H,5-8H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity towards cloned human Cannabinoid receptor 1				J Med Chem 43: 2300-9 (2000) Article DOI: 10.1021/jm991074s BindingDB Entry DOI: 10.7270/Q27H1N97
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50072757 ((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid (2...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCF Show InChI InChI=1S/C22H36FNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)24-21-20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,24,25)/b7-6-,10-9-,13-12-,16-15-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity towards cloned human cannabinoid receptor 2				J Med Chem 43: 2300-9 (2000) Article DOI: 10.1021/jm991074s BindingDB Entry DOI: 10.7270/Q27H1N97
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50080102 (CHEMBL71810 | JWH-030 | Naphthalen-1-yl-(1-pentyl-...) Show SMILES CCCCCn1ccc(c1)C(=O)c1cccc2ccccc12 Show InChI InChI=1S/C20H21NO/c1-2-3-6-13-21-14-12-17(15-21)20(22)19-11-7-9-16-8-4-5-10-18(16)19/h4-5,7-12,14-15H,2-3,6,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity towards cloned human cannabinoid receptor 2				J Med Chem 43: 2300-9 (2000) Article DOI: 10.1021/jm991074s BindingDB Entry DOI: 10.7270/Q27H1N97
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM22988 ((5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCO Show InChI InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity towards cloned human cannabinoid receptor 2				J Med Chem 43: 2300-9 (2000) Article DOI: 10.1021/jm991074s BindingDB Entry DOI: 10.7270/Q27H1N97
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM21282 (2-methyl-3-(naphthalen-1-ylcarbonyl)-1-propyl-1H-i...) Show SMILES CCCn1c(C)c(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C23H21NO/c1-3-15-24-16(2)22(20-12-6-7-14-21(20)24)23(25)19-13-8-10-17-9-4-5-11-18(17)19/h4-14H,3,15H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity towards cloned human Cannabinoid receptor 1				J Med Chem 43: 2300-9 (2000) Article DOI: 10.1021/jm991074s BindingDB Entry DOI: 10.7270/Q27H1N97
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50038644 ((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid (2...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NC(C)CO Show InChI InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(26)24-22(2)21-25/h7-8,10-11,13-14,16-17,22,25H,3-6,9,12,15,18-21H2,1-2H3,(H,24,26)/b8-7-,11-10-,14-13-,17-16-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity towards cloned human cannabinoid receptor 2				J Med Chem 43: 2300-9 (2000) Article DOI: 10.1021/jm991074s BindingDB Entry DOI: 10.7270/Q27H1N97
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50056461 ((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid (2...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCOC Show InChI InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(25)24-21-22-26-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-22H2,1-2H3,(H,24,25)/b8-7-,11-10-,14-13-,17-16-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity towards cloned human cannabinoid receptor 2				J Med Chem 43: 2300-9 (2000) Article DOI: 10.1021/jm991074s BindingDB Entry DOI: 10.7270/Q27H1N97
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50472722 (CHEMBL73987) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N1CCOCC1 Show InChI InChI=1S/C24H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(26)25-20-22-27-23-21-25/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-23H2,1H3/b7-6-,10-9-,13-12-,16-15-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity towards cloned human cannabinoid receptor 2				J Med Chem 43: 2300-9 (2000) Article DOI: 10.1021/jm991074s BindingDB Entry DOI: 10.7270/Q27H1N97
					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	710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity towards cloned human cannabinoid receptor 2				J Med Chem 43: 2300-9 (2000) Article DOI: 10.1021/jm991074s BindingDB Entry DOI: 10.7270/Q27H1N97
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50472722 (CHEMBL73987) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N1CCOCC1 Show InChI InChI=1S/C24H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(26)25-20-22-27-23-21-25/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-23H2,1H3/b7-6-,10-9-,13-12-,16-15-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity towards cloned human Cannabinoid receptor 1				J Med Chem 43: 2300-9 (2000) Article DOI: 10.1021/jm991074s BindingDB Entry DOI: 10.7270/Q27H1N97
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50056461 ((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid (2...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCOC Show InChI InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(25)24-21-22-26-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-22H2,1-2H3,(H,24,25)/b8-7-,11-10-,14-13-,17-16-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity towards cloned human Cannabinoid receptor 1				J Med Chem 43: 2300-9 (2000) Article DOI: 10.1021/jm991074s BindingDB Entry DOI: 10.7270/Q27H1N97
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50318484 (2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...) Show SMILES CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1 |r,t:11| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity towards cloned human cannabinoid receptor 2				J Med Chem 43: 2300-9 (2000) Article DOI: 10.1021/jm991074s BindingDB Entry DOI: 10.7270/Q27H1N97
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50472723 (CHEMBL77801) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCC(C(C)C)C(=O)NCCO Show InChI InChI=1S/C25H43NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(23(2)3)25(28)26-21-22-27/h8-9,11-12,14-15,17-18,23-24,27H,4-7,10,13,16,19-22H2,1-3H3,(H,26,28)/b9-8-,12-11-,15-14-,18-17-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity towards cloned human Cannabinoid receptor 1				J Med Chem 43: 2300-9 (2000) Article DOI: 10.1021/jm991074s BindingDB Entry DOI: 10.7270/Q27H1N97
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50318484 (2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...) Show SMILES CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1 |r,t:11| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity towards cloned human Cannabinoid receptor 1				J Med Chem 43: 2300-9 (2000) Article DOI: 10.1021/jm991074s BindingDB Entry DOI: 10.7270/Q27H1N97
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50472723 (CHEMBL77801) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCC(C(C)C)C(=O)NCCO Show InChI InChI=1S/C25H43NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(23(2)3)25(28)26-21-22-27/h8-9,11-12,14-15,17-18,23-24,27H,4-7,10,13,16,19-22H2,1-3H3,(H,26,28)/b9-8-,12-11-,15-14-,18-17-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity towards cloned human cannabinoid receptor 2				J Med Chem 43: 2300-9 (2000) Article DOI: 10.1021/jm991074s BindingDB Entry DOI: 10.7270/Q27H1N97
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50365845 (CHEMBL1957105) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2ccc(cc2)[N+]([O-])=O)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C37H46N6O5/c1-3-31(38-2)35(44)41-34-28(22-23-39-24-25-14-17-30(18-15-25)43(47)48)16-19-29-20-21-32(42(29)37(34)46)36(45)40-33(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-15,17-18,28-29,31-34,38-39H,3,16,19-24H2,1-2H3,(H,40,45)(H,41,44)/t28-,29+,31+,32+,34+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<2	n/a	n/a	n/a	n/a	n/a	n/a
CISI scrl Curated by ChEMBL					Assay Description Displacement of AbuRPF-K(5-Fam)-NH2 from human recombinant His-tagged-cIAP1 BIR3 domain after 3 hrs by fluorescence polarization assay				Bioorg Med Chem Lett 22: 2204-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.098 BindingDB Entry DOI: 10.7270/Q2VT1SK5
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50365840 (CHEMBL1957013) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2ccccc2C)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C38H49N5O3/c1-4-32(39-3)36(44)42-35-29(23-24-40-25-30-18-12-11-13-26(30)2)19-20-31-21-22-33(43(31)38(35)46)37(45)41-34(27-14-7-5-8-15-27)28-16-9-6-10-17-28/h5-18,29,31-35,39-40H,4,19-25H2,1-3H3,(H,41,45)(H,42,44)/t29-,31+,32+,33+,35+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<2	n/a	n/a	n/a	n/a	n/a	n/a
CISI scrl Curated by ChEMBL					Assay Description Displacement of AbuRPF-K(5-Fam)-NH2 from human recombinant His-tagged-cIAP1 BIR3 domain after 3 hrs by fluorescence polarization assay				Bioorg Med Chem Lett 22: 2204-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.098 BindingDB Entry DOI: 10.7270/Q2VT1SK5
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50365847 (CHEMBL1957024) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2ccc(cc2)C(F)(F)F)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C38H46F3N5O3/c1-3-31(42-2)35(47)45-34-28(22-23-43-24-25-14-17-29(18-15-25)38(39,40)41)16-19-30-20-21-32(46(30)37(34)49)36(48)44-33(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-15,17-18,28,30-34,42-43H,3,16,19-24H2,1-2H3,(H,44,48)(H,45,47)/t28-,30+,31+,32+,34+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<2	n/a	n/a	n/a	n/a	n/a	n/a
CISI scrl Curated by ChEMBL					Assay Description Displacement of AbuRPF-K(5-Fam)-NH2 from human recombinant His-tagged-cIAP1 BIR3 domain after 3 hrs by fluorescence polarization assay				Bioorg Med Chem Lett 22: 2204-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.098 BindingDB Entry DOI: 10.7270/Q2VT1SK5
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50365850 (CHEMBL1957020) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2cccc(F)c2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C37H46FN5O3/c1-3-31(39-2)35(44)42-34-28(21-22-40-24-25-11-10-16-29(38)23-25)17-18-30-19-20-32(43(30)37(34)46)36(45)41-33(26-12-6-4-7-13-26)27-14-8-5-9-15-27/h4-16,23,28,30-34,39-40H,3,17-22,24H2,1-2H3,(H,41,45)(H,42,44)/t28-,30+,31+,32+,34+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<2	n/a	n/a	n/a	n/a	n/a	n/a
CISI scrl Curated by ChEMBL					Assay Description Displacement of AbuRPF-K(5-Fam)-NH2 from human recombinant His-tagged-cIAP1 BIR3 domain after 3 hrs by fluorescence polarization assay				Bioorg Med Chem Lett 22: 2204-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.098 BindingDB Entry DOI: 10.7270/Q2VT1SK5
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50365843 (CHEMBL1957107) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2ccc(N)cc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C37H48N6O3/c1-3-31(39-2)35(44)42-34-28(22-23-40-24-25-14-17-29(38)18-15-25)16-19-30-20-21-32(43(30)37(34)46)36(45)41-33(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-15,17-18,28,30-34,39-40H,3,16,19-24,38H2,1-2H3,(H,41,45)(H,42,44)/t28-,30+,31+,32+,34+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<2	n/a	n/a	n/a	n/a	n/a	n/a
CISI scrl Curated by ChEMBL					Assay Description Displacement of AbuRPF-K(5-Fam)-NH2 from human recombinant His-tagged-cIAP1 BIR3 domain after 3 hrs by fluorescence polarization assay				Bioorg Med Chem Lett 22: 2204-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.098 BindingDB Entry DOI: 10.7270/Q2VT1SK5
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50365849 (CHEMBL1957021) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2ccc(F)cc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C37H46FN5O3/c1-3-31(39-2)35(44)42-34-28(22-23-40-24-25-14-17-29(38)18-15-25)16-19-30-20-21-32(43(30)37(34)46)36(45)41-33(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-15,17-18,28,30-34,39-40H,3,16,19-24H2,1-2H3,(H,41,45)(H,42,44)/t28-,30+,31+,32+,34+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<2	n/a	n/a	n/a	n/a	n/a	n/a
CISI scrl Curated by ChEMBL					Assay Description Displacement of AbuRPF-K(5-Fam)-NH2 from human recombinant His-tagged-cIAP1 BIR3 domain after 3 hrs by fluorescence polarization assay				Bioorg Med Chem Lett 22: 2204-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.098 BindingDB Entry DOI: 10.7270/Q2VT1SK5
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50365844 (CHEMBL1957106) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2ccc(cc2)C(=O)OC)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C39H49N5O5/c1-4-32(40-2)36(45)43-35-29(23-24-41-25-26-15-17-30(18-16-26)39(48)49-3)19-20-31-21-22-33(44(31)38(35)47)37(46)42-34(27-11-7-5-8-12-27)28-13-9-6-10-14-28/h5-18,29,31-35,40-41H,4,19-25H2,1-3H3,(H,42,46)(H,43,45)/t29-,31+,32+,33+,35+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<2	n/a	n/a	n/a	n/a	n/a	n/a
CISI scrl Curated by ChEMBL					Assay Description Displacement of AbuRPF-K(5-Fam)-NH2 from human recombinant His-tagged-cIAP1 BIR3 domain after 3 hrs by fluorescence polarization assay				Bioorg Med Chem Lett 22: 2204-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.098 BindingDB Entry DOI: 10.7270/Q2VT1SK5
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50365835 (CHEMBL1957018) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCNCc2ccc(Cl)cc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C37H46ClN5O3/c1-3-31(39-2)35(44)42-34-28(22-23-40-24-25-14-17-29(38)18-15-25)16-19-30-20-21-32(43(30)37(34)46)36(45)41-33(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-15,17-18,28,30-34,39-40H,3,16,19-24H2,1-2H3,(H,41,45)(H,42,44)/t28-,30+,31+,32+,34+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<2	n/a	n/a	n/a	n/a	n/a	n/a
CISI scrl Curated by ChEMBL					Assay Description Displacement of AbuRPF-K(5-Fam)-NH2 from human recombinant His-tagged-cIAP1 BIR3 domain after 3 hrs by fluorescence polarization assay				Bioorg Med Chem Lett 22: 2204-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.098 BindingDB Entry DOI: 10.7270/Q2VT1SK5
					More data for this Ligand-Target Pair

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