Compile Data Set for Download or QSAR

Found 98 hits with Last Name = 'sanna' 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 (MOUSE)	BDBM50200169 (6-methyl-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl...) Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)c1 Show InChI InChI=1S/C23H22Cl2N4O/c1-14-5-7-17-15(11-14)12-18-21(23(30)27-28-9-3-2-4-10-28)26-29(22(17)18)20-8-6-16(24)13-19(20)25/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptor				J Med Chem 49: 7502-12 (2006) Article DOI: 10.1021/jm060920d BindingDB Entry DOI: 10.7270/Q2057GRN
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	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 GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptor				J Med Chem 49: 7502-12 (2006) Article DOI: 10.1021/jm060920d BindingDB Entry DOI: 10.7270/Q2057GRN
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50176977 (1,4-dihydroindeno[1,2-c]-pyrazole | 6-chloro-1-(2'...) Show SMILES Clc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)c1 Show InChI InChI=1S/C22H19Cl3N4O/c23-14-4-6-16-13(10-14)11-17-20(22(30)27-28-8-2-1-3-9-28)26-29(21(16)17)19-7-5-15(24)12-18(19)25/h4-7,10,12H,1-3,8-9,11H2,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptor				J Med Chem 49: 7502-12 (2006) Article DOI: 10.1021/jm060920d BindingDB Entry DOI: 10.7270/Q2057GRN
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	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 GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptor				J Med Chem 49: 7502-12 (2006) Article DOI: 10.1021/jm060920d BindingDB Entry DOI: 10.7270/Q2057GRN
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CD1 mouse brain CB1 receptor				J Med Chem 49: 7502-12 (2006) Article DOI: 10.1021/jm060920d BindingDB Entry DOI: 10.7270/Q2057GRN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 2 (MOUSE)	BDBM50200166 (1-(2',4'-dichlorophenyl)-6-methyl-N-cyclohexylamin...) Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NC2CCCCC2)c1 Show InChI InChI=1S/C24H23Cl2N3O/c1-14-7-9-18-15(11-14)12-19-22(24(30)27-17-5-3-2-4-6-17)28-29(23(18)19)21-10-8-16(25)13-20(21)26/h7-11,13,17H,2-6,12H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptor				J Med Chem 49: 7502-12 (2006) Article DOI: 10.1021/jm060920d BindingDB Entry DOI: 10.7270/Q2057GRN
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50200177 (7-chloro-1-(2',4'-dichlorophenyl)-6-methyl-N-cyclo...) Show SMILES Cc1cc2Cc3c(nn(c3-c2cc1Cl)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 Show InChI InChI=1S/C24H22Cl3N3O/c1-13-9-14-10-18-22(24(31)28-16-5-3-2-4-6-16)29-30(23(18)17(14)12-19(13)26)21-8-7-15(25)11-20(21)27/h7-9,11-12,16H,2-6,10H2,1H3,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptor				J Med Chem 49: 7502-12 (2006) Article DOI: 10.1021/jm060920d BindingDB Entry DOI: 10.7270/Q2057GRN
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50200163 (1-(2',4'-dichlorophenyl)-6-methyl-N-phenyl-1,4-dih...) Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)Nc2ccccc2)c1 Show InChI InChI=1S/C24H17Cl2N3O/c1-14-7-9-18-15(11-14)12-19-22(24(30)27-17-5-3-2-4-6-17)28-29(23(18)19)21-10-8-16(25)13-20(21)26/h2-11,13H,12H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptor				J Med Chem 49: 7502-12 (2006) Article DOI: 10.1021/jm060920d BindingDB Entry DOI: 10.7270/Q2057GRN
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50200175 (1-(2',4'-dichlorophenyl)-6-methyl-N-p-fluorophenyl...) Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)Nc2ccc(F)cc2)c1 Show InChI InChI=1S/C24H16Cl2FN3O/c1-13-2-8-18-14(10-13)11-19-22(24(31)28-17-6-4-16(27)5-7-17)29-30(23(18)19)21-9-3-15(25)12-20(21)26/h2-10,12H,11H2,1H3,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptor				J Med Chem 49: 7502-12 (2006) Article DOI: 10.1021/jm060920d BindingDB Entry DOI: 10.7270/Q2057GRN
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50200172 (1-(2',4'-dichlorophenyl)-6-methyl-N-phenyl-1,4-dih...) Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NNc2ccccc2)c1 Show InChI InChI=1S/C24H18Cl2N4O/c1-14-7-9-18-15(11-14)12-19-22(24(31)28-27-17-5-3-2-4-6-17)29-30(23(18)19)21-10-8-16(25)13-20(21)26/h2-11,13,27H,12H2,1H3,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptor				J Med Chem 49: 7502-12 (2006) Article DOI: 10.1021/jm060920d BindingDB Entry DOI: 10.7270/Q2057GRN
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	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 UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CD1 mouse brain CB1 receptor				J Med Chem 49: 7502-12 (2006) Article DOI: 10.1021/jm060920d BindingDB Entry DOI: 10.7270/Q2057GRN
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50200167 (1-(2',4'-dichlorophenyl)-6-methyl-N-p-methylphenyl...) Show SMILES Cc1ccc(NC(=O)c2nn(c-3c2Cc2cc(C)ccc-32)-c2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C25H19Cl2N3O/c1-14-3-7-18(8-4-14)28-25(31)23-20-12-16-11-15(2)5-9-19(16)24(20)30(29-23)22-10-6-17(26)13-21(22)27/h3-11,13H,12H2,1-2H3,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptor				J Med Chem 49: 7502-12 (2006) Article DOI: 10.1021/jm060920d BindingDB Entry DOI: 10.7270/Q2057GRN
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50200165 (6-chloro-1-(2',4'-dichlorophenyl)-7-methyl-N-piper...) Show SMILES Cc1cc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)cc1Cl Show InChI InChI=1S/C23H21Cl3N4O/c1-13-9-16-14(11-18(13)25)10-17-21(23(31)28-29-7-3-2-4-8-29)27-30(22(16)17)20-6-5-15(24)12-19(20)26/h5-6,9,11-12H,2-4,7-8,10H2,1H3,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptor				J Med Chem 49: 7502-12 (2006) Article DOI: 10.1021/jm060920d BindingDB Entry DOI: 10.7270/Q2057GRN
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50200171 (1-(2',4'-dichlorophenyl)-6-methyl-N-p-methoxypheny...) Show SMILES COc1ccc(NC(=O)c2nn(c-3c2Cc2cc(C)ccc-32)-c2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C25H19Cl2N3O2/c1-14-3-9-19-15(11-14)12-20-23(25(31)28-17-5-7-18(32-2)8-6-17)29-30(24(19)20)22-10-4-16(26)13-21(22)27/h3-11,13H,12H2,1-2H3,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	114	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptor				J Med Chem 49: 7502-12 (2006) Article DOI: 10.1021/jm060920d BindingDB Entry DOI: 10.7270/Q2057GRN
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50200162 (1-(2',4'-dichlorophenyl)-6-methyl-N-p-chlorophenyl...) Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)Nc2ccc(Cl)cc2)c1 Show InChI InChI=1S/C24H16Cl3N3O/c1-13-2-8-18-14(10-13)11-19-22(24(31)28-17-6-3-15(25)4-7-17)29-30(23(18)19)21-9-5-16(26)12-20(21)27/h2-10,12H,11H2,1H3,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	177	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptor				J Med Chem 49: 7502-12 (2006) Article DOI: 10.1021/jm060920d BindingDB Entry DOI: 10.7270/Q2057GRN
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50464771 (CHEMBL4279417) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(oc2c(-[#6@@H]-3-[#6]=[#6](-[#6])-[#6]-[#6@@H](-[#6@H]-3-[#6](=O)-c3ccc(-[#8])cc3-[#8])-c3ccc(-[#8])cc3-[#8])c(-[#8])cc(-[#8])c2c1=O)-c1ccc(-[#8])cc1-[#8] |r,t:11| Show InChI InChI=1S/C40H36O11/c1-18(2)4-8-26-38(50)36-33(48)17-32(47)35(40(36)51-39(26)25-11-7-22(43)16-31(25)46)28-13-19(3)12-27(23-9-5-20(41)14-29(23)44)34(28)37(49)24-10-6-21(42)15-30(24)45/h4-7,9-11,13-17,27-28,34,41-48H,8,12H2,1-3H3/t27-,28-,34-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Santa Catarina Curated by ChEMBL					Assay Description Non-competitive inhibition of human PTP1B using p-nitrophenyl phosphate as substrate up to 7 uM preincubated for 10 mins followed by substrate additi...				Eur J Med Chem 144: 277-288 (2018) Article DOI: 10.1016/j.ejmech.2017.11.087 BindingDB Entry DOI: 10.7270/Q2GX4F79
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50464769 (CHEMBL4290098) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-[#6](=O)-[#6@@H]-2-[#6@H](-[#6]-[#6](-[#6])=[#6]-[#6@H]-2-c2c(-[#8])cc(-[#8])c3c2oc(c(-[#6]\[#6]=[#6](\[#6])-[#6])c3=O)-c2ccc(-[#8])cc2-[#8])-c2ccc(-[#8])cc2-[#8])c1-[#8] |r,c:17| Show InChI InChI=1S/C45H44O11/c1-21(2)6-10-27-33(48)15-14-29(41(27)53)42(54)38-31(26-12-8-24(46)18-34(26)49)16-23(5)17-32(38)39-36(51)20-37(52)40-43(55)30(11-7-22(3)4)44(56-45(39)40)28-13-9-25(47)19-35(28)50/h6-9,12-15,17-20,31-32,38,46-53H,10-11,16H2,1-5H3/t31-,32-,38-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Santa Catarina Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis PtpB using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addition meas...				Eur J Med Chem 144: 277-288 (2018) Article DOI: 10.1016/j.ejmech.2017.11.087 BindingDB Entry DOI: 10.7270/Q2GX4F79
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50200168 (7-chloro-1-(2',4'-dichlorophenyl)-6-methyl-N-piper...) Show SMILES Cc1cc2Cc3c(nn(c3-c2cc1Cl)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C23H21Cl3N4O/c1-13-9-14-10-17-21(23(31)28-29-7-3-2-4-8-29)27-30(22(17)16(14)12-18(13)25)20-6-5-15(24)11-19(20)26/h5-6,9,11-12H,2-4,7-8,10H2,1H3,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptor				J Med Chem 49: 7502-12 (2006) Article DOI: 10.1021/jm060920d BindingDB Entry DOI: 10.7270/Q2057GRN
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50200169 (6-methyl-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl...) Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)c1 Show InChI InChI=1S/C23H22Cl2N4O/c1-14-5-7-17-15(11-14)12-18-21(23(30)27-28-9-3-2-4-10-28)26-29(22(17)18)20-8-6-16(24)13-19(20)25/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	363	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CD1 mouse brain CB1 receptor				J Med Chem 49: 7502-12 (2006) Article DOI: 10.1021/jm060920d BindingDB Entry DOI: 10.7270/Q2057GRN
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50464771 (CHEMBL4279417) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(oc2c(-[#6@@H]-3-[#6]=[#6](-[#6])-[#6]-[#6@@H](-[#6@H]-3-[#6](=O)-c3ccc(-[#8])cc3-[#8])-c3ccc(-[#8])cc3-[#8])c(-[#8])cc(-[#8])c2c1=O)-c1ccc(-[#8])cc1-[#8] |r,t:11| Show InChI InChI=1S/C40H36O11/c1-18(2)4-8-26-38(50)36-33(48)17-32(47)35(40(36)51-39(26)25-11-7-22(43)16-31(25)46)28-13-19(3)12-27(23-9-5-20(41)14-29(23)44)34(28)37(49)24-10-6-21(42)15-30(24)45/h4-7,9-11,13-17,27-28,34,41-48H,8,12H2,1-3H3/t27-,28-,34-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Santa Catarina Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis PtpB using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addition meas...				Eur J Med Chem 144: 277-288 (2018) Article DOI: 10.1016/j.ejmech.2017.11.087 BindingDB Entry DOI: 10.7270/Q2GX4F79
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50200177 (7-chloro-1-(2',4'-dichlorophenyl)-6-methyl-N-cyclo...) Show SMILES Cc1cc2Cc3c(nn(c3-c2cc1Cl)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 Show InChI InChI=1S/C24H22Cl3N3O/c1-13-9-14-10-18-22(24(31)28-16-5-3-2-4-6-16)29-30(23(18)17(14)12-19(13)26)21-8-7-15(25)11-20(21)27/h7-9,11-12,16H,2-6,10H2,1H3,(H,28,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	833	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CD1 mouse brain CB1 receptor				J Med Chem 49: 7502-12 (2006) Article DOI: 10.1021/jm060920d BindingDB Entry DOI: 10.7270/Q2057GRN
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50200166 (1-(2',4'-dichlorophenyl)-6-methyl-N-cyclohexylamin...) Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NC2CCCCC2)c1 Show InChI InChI=1S/C24H23Cl2N3O/c1-14-7-9-18-15(11-14)12-19-22(24(30)27-17-5-3-2-4-6-17)28-29(23(18)19)21-10-8-16(25)13-20(21)26/h7-11,13,17H,2-6,12H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE 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£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CD1 mouse brain CB1 receptor				J Med Chem 49: 7502-12 (2006) Article DOI: 10.1021/jm060920d BindingDB Entry DOI: 10.7270/Q2057GRN
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50200168 (7-chloro-1-(2',4'-dichlorophenyl)-6-methyl-N-piper...) Show SMILES Cc1cc2Cc3c(nn(c3-c2cc1Cl)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C23H21Cl3N4O/c1-13-9-14-10-17-21(23(31)28-29-7-3-2-4-8-29)27-30(22(17)16(14)12-18(13)25)20-6-5-15(24)11-19(20)26/h5-6,9,11-12H,2-4,7-8,10H2,1H3,(H,28,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	916	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CD1 mouse brain CB1 receptor				J Med Chem 49: 7502-12 (2006) Article DOI: 10.1021/jm060920d BindingDB Entry DOI: 10.7270/Q2057GRN
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50200165 (6-chloro-1-(2',4'-dichlorophenyl)-7-methyl-N-piper...) Show SMILES Cc1cc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)cc1Cl Show InChI InChI=1S/C23H21Cl3N4O/c1-13-9-16-14(11-18(13)25)10-17-21(23(31)28-29-7-3-2-4-8-29)27-30(22(16)17)20-6-5-15(24)12-19(20)26/h5-6,9,11-12H,2-4,7-8,10H2,1H3,(H,28,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CD1 mouse brain CB1 receptor				J Med Chem 49: 7502-12 (2006) Article DOI: 10.1021/jm060920d BindingDB Entry DOI: 10.7270/Q2057GRN
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50464770 (CHEMBL4280952) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-[#6](=O)-[#6@@H]-2-[#6@H](-[#6]-[#6](-[#6])=[#6]-[#6@@H]-2-c2c(-[#8])cc(\[#6]=[#6]\c3ccc(-[#8])cc3-[#8])cc2-[#8])-c2ccc(-[#8])cc2-[#8])c1-[#8] |r,c:17| Show InChI InChI=1S/C39H38O9/c1-20(2)4-10-27-31(42)13-12-28(38(27)47)39(48)36-29(26-11-9-25(41)19-33(26)44)14-21(3)15-30(36)37-34(45)16-22(17-35(37)46)5-6-23-7-8-24(40)18-32(23)43/h4-9,11-13,15-19,29-30,36,40-47H,10,14H2,1-3H3/b6-5+/t29-,30+,36-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Santa Catarina Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis PtpB using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addition meas...				Eur J Med Chem 144: 277-288 (2018) Article DOI: 10.1016/j.ejmech.2017.11.087 BindingDB Entry DOI: 10.7270/Q2GX4F79
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50176977 (1,4-dihydroindeno[1,2-c]-pyrazole | 6-chloro-1-(2'...) Show SMILES Clc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)c1 Show InChI InChI=1S/C22H19Cl3N4O/c23-14-4-6-16-13(10-14)11-17-20(22(30)27-28-8-2-1-3-9-28)26-29(21(16)17)19-7-5-15(24)12-18(19)25/h4-7,10,12H,1-3,8-9,11H2,(H,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CD1 mouse brain CB1 receptor				J Med Chem 49: 7502-12 (2006) Article DOI: 10.1021/jm060920d BindingDB Entry DOI: 10.7270/Q2057GRN
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50200160 (1-(2',4'-dichlorphenyl)-6-methyl-N-p-nitrophenyl-1...) Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NNc2ccc(cc2)[N+]([O-])=O)c1 Show InChI InChI=1S/C24H17Cl2N5O3/c1-13-2-8-18-14(10-13)11-19-22(24(32)28-27-16-4-6-17(7-5-16)31(33)34)29-30(23(18)19)21-9-3-15(25)12-20(21)26/h2-10,12,27H,11H2,1H3,(H,28,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptor				J Med Chem 49: 7502-12 (2006) Article DOI: 10.1021/jm060920d BindingDB Entry DOI: 10.7270/Q2057GRN
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50200172 (1-(2',4'-dichlorophenyl)-6-methyl-N-phenyl-1,4-dih...) Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NNc2ccccc2)c1 Show InChI InChI=1S/C24H18Cl2N4O/c1-14-7-9-18-15(11-14)12-19-22(24(31)28-27-17-5-3-2-4-6-17)29-30(23(18)19)21-10-8-16(25)13-20(21)26/h2-11,13,27H,12H2,1H3,(H,28,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.28E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CD1 mouse brain CB1 receptor				J Med Chem 49: 7502-12 (2006) Article DOI: 10.1021/jm060920d BindingDB Entry DOI: 10.7270/Q2057GRN
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50200163 (1-(2',4'-dichlorophenyl)-6-methyl-N-phenyl-1,4-dih...) Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)Nc2ccccc2)c1 Show InChI InChI=1S/C24H17Cl2N3O/c1-14-7-9-18-15(11-14)12-19-22(24(30)27-17-5-3-2-4-6-17)28-29(23(18)19)21-10-8-16(25)13-20(21)26/h2-11,13H,12H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.41E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CD1 mouse brain CB1 receptor				J Med Chem 49: 7502-12 (2006) Article DOI: 10.1021/jm060920d BindingDB Entry DOI: 10.7270/Q2057GRN
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50200161 (1-(2',4'-dichlorophenyl)-6-methyl-N-o,p-dichloroph...) Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)Nc2ccc(Cl)cc2Cl)c1 Show InChI InChI=1S/C24H15Cl4N3O/c1-12-2-5-16-13(8-12)9-17-22(24(32)29-20-6-3-14(25)10-18(20)27)30-31(23(16)17)21-7-4-15(26)11-19(21)28/h2-8,10-11H,9H2,1H3,(H,29,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.63E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CD1 mouse brain CB1 receptor				J Med Chem 49: 7502-12 (2006) Article DOI: 10.1021/jm060920d BindingDB Entry DOI: 10.7270/Q2057GRN
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50200164 (1-(2',4'-dichlorophenyl)-6-methyl-N-p-methoxypheny...) Show SMILES COc1ccc(NNC(=O)c2nn(c-3c2Cc2cc(C)ccc-32)-c2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C25H20Cl2N4O2/c1-14-3-9-19-15(11-14)12-20-23(25(32)29-28-17-5-7-18(33-2)8-6-17)30-31(24(19)20)22-10-4-16(26)13-21(22)27/h3-11,13,28H,12H2,1-2H3,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptor				J Med Chem 49: 7502-12 (2006) Article DOI: 10.1021/jm060920d BindingDB Entry DOI: 10.7270/Q2057GRN
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50200160 (1-(2',4'-dichlorphenyl)-6-methyl-N-p-nitrophenyl-1...) Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NNc2ccc(cc2)[N+]([O-])=O)c1 Show InChI InChI=1S/C24H17Cl2N5O3/c1-13-2-8-18-14(10-13)11-19-22(24(32)28-27-16-4-6-17(7-5-16)31(33)34)29-30(23(18)19)21-9-3-15(25)12-20(21)26/h2-10,12,27H,11H2,1H3,(H,28,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CD1 mouse brain CB1 receptor				J Med Chem 49: 7502-12 (2006) Article DOI: 10.1021/jm060920d BindingDB Entry DOI: 10.7270/Q2057GRN
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50200167 (1-(2',4'-dichlorophenyl)-6-methyl-N-p-methylphenyl...) Show SMILES Cc1ccc(NC(=O)c2nn(c-3c2Cc2cc(C)ccc-32)-c2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C25H19Cl2N3O/c1-14-3-7-18(8-4-14)28-25(31)23-20-12-16-11-15(2)5-9-19(16)24(20)30(29-23)22-10-6-17(26)13-21(22)27/h3-11,13H,12H2,1-2H3,(H,28,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CD1 mouse brain CB1 receptor				J Med Chem 49: 7502-12 (2006) Article DOI: 10.1021/jm060920d BindingDB Entry DOI: 10.7270/Q2057GRN
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50200175 (1-(2',4'-dichlorophenyl)-6-methyl-N-p-fluorophenyl...) Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)Nc2ccc(F)cc2)c1 Show InChI InChI=1S/C24H16Cl2FN3O/c1-13-2-8-18-14(10-13)11-19-22(24(31)28-17-6-4-16(27)5-7-17)29-30(23(18)19)21-9-3-15(25)12-20(21)26/h2-10,12H,11H2,1H3,(H,28,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CD1 mouse brain CB1 receptor				J Med Chem 49: 7502-12 (2006) Article DOI: 10.1021/jm060920d BindingDB Entry DOI: 10.7270/Q2057GRN
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50200173 (1-(2',4'-dichlorphenyl)-6-methyl-N-p-chlorophenyl-...) Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NNc2ccc(Cl)cc2)c1 Show InChI InChI=1S/C24H17Cl3N4O/c1-13-2-8-18-14(10-13)11-19-22(24(32)29-28-17-6-3-15(25)4-7-17)30-31(23(18)19)21-9-5-16(26)12-20(21)27/h2-10,12,28H,11H2,1H3,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptor				J Med Chem 49: 7502-12 (2006) Article DOI: 10.1021/jm060920d BindingDB Entry DOI: 10.7270/Q2057GRN
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50200174 (1-(2',4'-dichlorophenyl)-6-methyl-N-p-trifluoromet...) Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)Nc2ccc(cc2)C(F)(F)F)c1 Show InChI InChI=1S/C25H16Cl2F3N3O/c1-13-2-8-18-14(10-13)11-19-22(24(34)31-17-6-3-15(4-7-17)25(28,29)30)32-33(23(18)19)21-9-5-16(26)12-20(21)27/h2-10,12H,11H2,1H3,(H,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptor				J Med Chem 49: 7502-12 (2006) Article DOI: 10.1021/jm060920d BindingDB Entry DOI: 10.7270/Q2057GRN
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50200164 (1-(2',4'-dichlorophenyl)-6-methyl-N-p-methoxypheny...) Show SMILES COc1ccc(NNC(=O)c2nn(c-3c2Cc2cc(C)ccc-32)-c2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C25H20Cl2N4O2/c1-14-3-9-19-15(11-14)12-20-23(25(32)29-28-17-5-7-18(33-2)8-6-17)30-31(24(19)20)22-10-4-16(26)13-21(22)27/h3-11,13,28H,12H2,1-2H3,(H,29,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CD1 mouse brain CB1 receptor				J Med Chem 49: 7502-12 (2006) Article DOI: 10.1021/jm060920d BindingDB Entry DOI: 10.7270/Q2057GRN
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50200161 (1-(2',4'-dichlorophenyl)-6-methyl-N-o,p-dichloroph...) Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)Nc2ccc(Cl)cc2Cl)c1 Show InChI InChI=1S/C24H15Cl4N3O/c1-12-2-5-16-13(8-12)9-17-22(24(32)29-20-6-3-14(25)10-18(20)27)30-31(23(16)17)21-7-4-15(26)11-19(21)28/h2-8,10-11H,9H2,1H3,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptor				J Med Chem 49: 7502-12 (2006) Article DOI: 10.1021/jm060920d BindingDB Entry DOI: 10.7270/Q2057GRN
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50200178 (1-(2',4'-dichlorophenyl)-6-methyl-N-m,p-dichloroph...) Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 Show InChI InChI=1S/C24H15Cl4N3O/c1-12-2-5-16-13(8-12)9-17-22(24(32)29-15-4-6-18(26)19(27)11-15)30-31(23(16)17)21-7-3-14(25)10-20(21)28/h2-8,10-11H,9H2,1H3,(H,29,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CD1 mouse brain CB1 receptor				J Med Chem 49: 7502-12 (2006) Article DOI: 10.1021/jm060920d BindingDB Entry DOI: 10.7270/Q2057GRN
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50200178 (1-(2',4'-dichlorophenyl)-6-methyl-N-m,p-dichloroph...) Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 Show InChI InChI=1S/C24H15Cl4N3O/c1-12-2-5-16-13(8-12)9-17-22(24(32)29-15-4-6-18(26)19(27)11-15)30-31(23(16)17)21-7-3-14(25)10-20(21)28/h2-8,10-11H,9H2,1H3,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptor				J Med Chem 49: 7502-12 (2006) Article DOI: 10.1021/jm060920d BindingDB Entry DOI: 10.7270/Q2057GRN
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50200173 (1-(2',4'-dichlorphenyl)-6-methyl-N-p-chlorophenyl-...) Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NNc2ccc(Cl)cc2)c1 Show InChI InChI=1S/C24H17Cl3N4O/c1-13-2-8-18-14(10-13)11-19-22(24(32)29-28-17-6-3-15(25)4-7-17)30-31(23(18)19)21-9-5-16(26)12-20(21)27/h2-10,12,28H,11H2,1H3,(H,29,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CD1 mouse brain CB1 receptor				J Med Chem 49: 7502-12 (2006) Article DOI: 10.1021/jm060920d BindingDB Entry DOI: 10.7270/Q2057GRN
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50200171 (1-(2',4'-dichlorophenyl)-6-methyl-N-p-methoxypheny...) Show SMILES COc1ccc(NC(=O)c2nn(c-3c2Cc2cc(C)ccc-32)-c2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C25H19Cl2N3O2/c1-14-3-9-19-15(11-14)12-20-23(25(31)28-17-5-7-18(32-2)8-6-17)29-30(24(19)20)22-10-4-16(26)13-21(22)27/h3-11,13H,12H2,1-2H3,(H,28,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CD1 mouse brain CB1 receptor				J Med Chem 49: 7502-12 (2006) Article DOI: 10.1021/jm060920d BindingDB Entry DOI: 10.7270/Q2057GRN
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50200162 (1-(2',4'-dichlorophenyl)-6-methyl-N-p-chlorophenyl...) Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)Nc2ccc(Cl)cc2)c1 Show InChI InChI=1S/C24H16Cl3N3O/c1-13-2-8-18-14(10-13)11-19-22(24(31)28-17-6-3-15(25)4-7-17)29-30(23(18)19)21-9-5-16(26)12-20(21)27/h2-10,12H,11H2,1H3,(H,28,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CD1 mouse brain CB1 receptor				J Med Chem 49: 7502-12 (2006) Article DOI: 10.1021/jm060920d BindingDB Entry DOI: 10.7270/Q2057GRN
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50200174 (1-(2',4'-dichlorophenyl)-6-methyl-N-p-trifluoromet...) Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)Nc2ccc(cc2)C(F)(F)F)c1 Show InChI InChI=1S/C25H16Cl2F3N3O/c1-13-2-8-18-14(10-13)11-19-22(24(34)31-17-6-3-15(4-7-17)25(28,29)30)32-33(23(18)19)21-9-5-16(26)12-20(21)27/h2-10,12H,11H2,1H3,(H,31,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CD1 mouse brain CB1 receptor				J Med Chem 49: 7502-12 (2006) Article DOI: 10.1021/jm060920d BindingDB Entry DOI: 10.7270/Q2057GRN
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50464769 (CHEMBL4290098) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-[#6](=O)-[#6@@H]-2-[#6@H](-[#6]-[#6](-[#6])=[#6]-[#6@H]-2-c2c(-[#8])cc(-[#8])c3c2oc(c(-[#6]\[#6]=[#6](\[#6])-[#6])c3=O)-c2ccc(-[#8])cc2-[#8])-c2ccc(-[#8])cc2-[#8])c1-[#8] |r,c:17| Show InChI InChI=1S/C45H44O11/c1-21(2)6-10-27-33(48)15-14-29(41(27)53)42(54)38-31(26-12-8-24(46)18-34(26)49)16-23(5)17-32(38)39-36(51)20-37(52)40-43(55)30(11-7-22(3)4)44(56-45(39)40)28-13-9-25(47)19-35(28)50/h6-9,12-15,17-20,31-32,38,46-53H,10-11,16H2,1-5H3/t31-,32-,38-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Santa Catarina Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis PtpB using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addition meas...				Eur J Med Chem 144: 277-288 (2018) Article DOI: 10.1016/j.ejmech.2017.11.087 BindingDB Entry DOI: 10.7270/Q2GX4F79
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50464769 (CHEMBL4290098) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-[#6](=O)-[#6@@H]-2-[#6@H](-[#6]-[#6](-[#6])=[#6]-[#6@H]-2-c2c(-[#8])cc(-[#8])c3c2oc(c(-[#6]\[#6]=[#6](\[#6])-[#6])c3=O)-c2ccc(-[#8])cc2-[#8])-c2ccc(-[#8])cc2-[#8])c1-[#8] |r,c:17| Show InChI InChI=1S/C45H44O11/c1-21(2)6-10-27-33(48)15-14-29(41(27)53)42(54)38-31(26-12-8-24(46)18-34(26)49)16-23(5)17-32(38)39-36(51)20-37(52)40-43(55)30(11-7-22(3)4)44(56-45(39)40)28-13-9-25(47)19-35(28)50/h6-9,12-15,17-20,31-32,38,46-53H,10-11,16H2,1-5H3/t31-,32-,38-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	363	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Santa Catarina Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis PtpB using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addition meas...				Eur J Med Chem 144: 277-288 (2018) Article DOI: 10.1016/j.ejmech.2017.11.087 BindingDB Entry DOI: 10.7270/Q2GX4F79
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50464771 (CHEMBL4279417) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(oc2c(-[#6@@H]-3-[#6]=[#6](-[#6])-[#6]-[#6@@H](-[#6@H]-3-[#6](=O)-c3ccc(-[#8])cc3-[#8])-c3ccc(-[#8])cc3-[#8])c(-[#8])cc(-[#8])c2c1=O)-c1ccc(-[#8])cc1-[#8] |r,t:11| Show InChI InChI=1S/C40H36O11/c1-18(2)4-8-26-38(50)36-33(48)17-32(47)35(40(36)51-39(26)25-11-7-22(43)16-31(25)46)28-13-19(3)12-27(23-9-5-20(41)14-29(23)44)34(28)37(49)24-10-6-21(42)15-30(24)45/h4-7,9-11,13-17,27-28,34,41-48H,8,12H2,1-3H3/t27-,28-,34-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Santa Catarina Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis PtpB using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addition meas...				Eur J Med Chem 144: 277-288 (2018) Article DOI: 10.1016/j.ejmech.2017.11.087 BindingDB Entry DOI: 10.7270/Q2GX4F79
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50464771 (CHEMBL4279417) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(oc2c(-[#6@@H]-3-[#6]=[#6](-[#6])-[#6]-[#6@@H](-[#6@H]-3-[#6](=O)-c3ccc(-[#8])cc3-[#8])-c3ccc(-[#8])cc3-[#8])c(-[#8])cc(-[#8])c2c1=O)-c1ccc(-[#8])cc1-[#8] |r,t:11| Show InChI InChI=1S/C40H36O11/c1-18(2)4-8-26-38(50)36-33(48)17-32(47)35(40(36)51-39(26)25-11-7-22(43)16-31(25)46)28-13-19(3)12-27(23-9-5-20(41)14-29(23)44)34(28)37(49)24-10-6-21(42)15-30(24)45/h4-7,9-11,13-17,27-28,34,41-48H,8,12H2,1-3H3/t27-,28-,34-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	832	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Santa Catarina Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis PtpB using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addition meas...				Eur J Med Chem 144: 277-288 (2018) Article DOI: 10.1016/j.ejmech.2017.11.087 BindingDB Entry DOI: 10.7270/Q2GX4F79
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50269559 (2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) Show SMILES Oc1ccc(c(O)c1)-c1cc(=O)c2c(O)cc(O)cc2o1 Show InChI InChI=1S/C15H10O6/c16-7-1-2-9(10(18)3-7)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-6,16-19H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Santa Catarina Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis PtpB using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addition meas...				Eur J Med Chem 144: 277-288 (2018) Article DOI: 10.1016/j.ejmech.2017.11.087 BindingDB Entry DOI: 10.7270/Q2GX4F79
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50269559 (2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) Show SMILES Oc1ccc(c(O)c1)-c1cc(=O)c2c(O)cc(O)cc2o1 Show InChI InChI=1S/C15H10O6/c16-7-1-2-9(10(18)3-7)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-6,16-19H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Santa Catarina Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis PtpB using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addition meas...				Eur J Med Chem 144: 277-288 (2018) Article DOI: 10.1016/j.ejmech.2017.11.087 BindingDB Entry DOI: 10.7270/Q2GX4F79
					More data for this Ligand-Target Pair

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