Compile Data Set for Download or QSAR

Found 1380 hits with Last Name = 'yang' and Initial = 'p'   

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))	BDBM50427413 (CHEMBL2326297) Show SMILES CCN(CC)c1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)cc2)cc1 Show InChI InChI=1S/C25H30N2O3S/c1-5-26(6-2)22-13-9-21(10-14-22)19-27(23-11-7-20(3)8-12-23)31(28,29)25-17-15-24(30-4)16-18-25/h7-18H,5-6,19H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from CB2 receptor (unknown origin) after 1 hr by scintillation counting analysis				J Med Chem 56: 2045-58 (2013) Article DOI: 10.1021/jm3017464 BindingDB Entry DOI: 10.7270/Q2BK1DPW
					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	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cell membranes after 1 hr by scintillation counting analysis				ACS Med Chem Lett 4: 387-392 (2013) Article DOI: 10.1021/ml3004236 BindingDB Entry DOI: 10.7270/Q2MP54MQ
					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	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from CB2 receptor (unknown origin) after 1 hr by scintillation counting analysis				J Med Chem 56: 2045-58 (2013) Article DOI: 10.1021/jm3017464 BindingDB Entry DOI: 10.7270/Q2BK1DPW
					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	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cells incubated for 1 hr				J Med Chem 55: 9973-87 (2012) Article DOI: 10.1021/jm301212u BindingDB Entry DOI: 10.7270/Q22808R5
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50427420 (CHEMBL2326290) Show SMILES CCN(CC)c1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2cccc(C)c2)cc1 Show InChI InChI=1S/C24H27ClN2O2S/c1-4-26(5-2)22-13-9-20(10-14-22)18-27(23-15-11-21(25)12-16-23)30(28,29)24-8-6-7-19(3)17-24/h6-17H,4-5,18H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from CB2 receptor (unknown origin) after 1 hr by scintillation counting analysis				J Med Chem 56: 2045-58 (2013) Article DOI: 10.1021/jm3017464 BindingDB Entry DOI: 10.7270/Q2BK1DPW
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50427414 (CHEMBL2326296) Show SMILES CCN(CC)c1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C24H27ClN2O2S/c1-4-26(5-2)22-14-8-20(9-15-22)18-27(23-12-6-19(3)7-13-23)30(28,29)24-16-10-21(25)11-17-24/h6-17H,4-5,18H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
University of Pittsburgh Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from CB2 receptor (unknown origin) after 1 hr by scintillation counting analysis				J Med Chem 56: 2045-58 (2013) Article DOI: 10.1021/jm3017464 BindingDB Entry DOI: 10.7270/Q2BK1DPW
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50427416 (CHEMBL2326294) Show SMILES CCN(CC)c1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C24H28N2O2S/c1-4-25(5-2)22-17-13-21(14-18-22)19-26(23-15-11-20(3)12-16-23)29(27,28)24-9-7-6-8-10-24/h6-18H,4-5,19H2,1-3H3	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
University of Pittsburgh Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from CB2 receptor (unknown origin) after 1 hr by scintillation counting analysis				J Med Chem 56: 2045-58 (2013) Article DOI: 10.1021/jm3017464 BindingDB Entry DOI: 10.7270/Q2BK1DPW
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50428174 (CHEMBL2336549) Show SMILES CCN(CC)c1ccc(CN(c2ncc(C)s2)S(=O)(=O)c2ccc(OC)cc2)cc1 Show InChI InChI=1S/C22H27N3O3S2/c1-5-24(6-2)19-9-7-18(8-10-19)16-25(22-23-15-17(3)29-22)30(26,27)21-13-11-20(28-4)12-14-21/h7-15H,5-6,16H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cell membranes after 1 hr by scintillation counting analysis				ACS Med Chem Lett 4: 387-392 (2013) Article DOI: 10.1021/ml3004236 BindingDB Entry DOI: 10.7270/Q2MP54MQ
					More data for this Ligand-Target Pair
Genome polyprotein (Enterovirus A71)	BDBM50465892 (CHEMBL3742031) Show SMILES [H][C@@]1(C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2cc(C)on2)[C@@H](O)C#N)CCCNC1=O |r| Show InChI InChI=1S/C23H26FN5O5/c1-13-9-19(29-34-13)23(33)28-18(10-14-4-6-16(24)7-5-14)22(32)27-17(20(30)12-25)11-15-3-2-8-26-21(15)31/h4-7,9,15,17-18,20,30H,2-3,8,10-11H2,1H3,(H,26,31)(H,27,32)(H,28,33)/t15-,17-,18-,20-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nankai University Curated by ChEMBL					Assay Description Inhibition of EV71 3C protease expressed in Escherichia coli BL21(DE3) using NMA-IEALFQGPPK(DNP)FR as substrate preincubated for 0.5 hrs followed by ...				J Med Chem 61: 10333-10339 (2018) Article DOI: 10.1021/acs.jmedchem.8b01335 BindingDB Entry DOI: 10.7270/Q2N58Q1D
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50427410 (CHEMBL2326300) Show SMILES CCN(CC)c1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(cc2)C(C)C)cc1 Show InChI InChI=1S/C27H34N2O2S/c1-6-28(7-2)25-16-10-23(11-17-25)20-29(26-14-8-22(5)9-15-26)32(30,31)27-18-12-24(13-19-27)21(3)4/h8-19,21H,6-7,20H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from CB2 receptor (unknown origin) after 1 hr by scintillation counting analysis				J Med Chem 56: 2045-58 (2013) Article DOI: 10.1021/jm3017464 BindingDB Entry DOI: 10.7270/Q2BK1DPW
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50427412 (CHEMBL2326298) Show SMILES CCN(CC)c1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C25H30N2O2S/c1-5-26(6-2)23-15-11-22(12-16-23)19-27(24-13-7-20(3)8-14-24)30(28,29)25-17-9-21(4)10-18-25/h7-18H,5-6,19H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from CB2 receptor (unknown origin) after 1 hr by scintillation counting analysis				J Med Chem 56: 2045-58 (2013) Article DOI: 10.1021/jm3017464 BindingDB Entry DOI: 10.7270/Q2BK1DPW
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50428180 (CHEMBL2336543) Show SMILES CCN(CC)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1 Show InChI InChI=1S/C24H28N2O3S/c1-4-25(5-2)21-13-11-20(12-14-21)19-26(22-9-7-6-8-10-22)30(27,28)24-17-15-23(29-3)16-18-24/h6-18H,4-5,19H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cell membranes after 1 hr by scintillation counting analysis				ACS Med Chem Lett 4: 387-392 (2013) Article DOI: 10.1021/ml3004236 BindingDB Entry DOI: 10.7270/Q2MP54MQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50428185 (CHEMBL2336538) Show SMILES CCN(CC)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C24H28N2O2S/c1-4-25(5-2)22-15-13-21(14-16-22)19-26(23-9-7-6-8-10-23)29(27,28)24-17-11-20(3)12-18-24/h6-18H,4-5,19H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cell membranes after 1 hr by scintillation counting analysis				ACS Med Chem Lett 4: 387-392 (2013) Article DOI: 10.1021/ml3004236 BindingDB Entry DOI: 10.7270/Q2MP54MQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50427415 (CHEMBL2326295) Show SMILES CCN(CC)c1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C24H27FN2O2S/c1-4-26(5-2)22-14-8-20(9-15-22)18-27(23-12-6-19(3)7-13-23)30(28,29)24-16-10-21(25)11-17-24/h6-17H,4-5,18H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from CB2 receptor (unknown origin) after 1 hr by scintillation counting analysis				J Med Chem 56: 2045-58 (2013) Article DOI: 10.1021/jm3017464 BindingDB Entry DOI: 10.7270/Q2BK1DPW
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50427411 (CHEMBL2326299) Show SMILES CCN(CC)c1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2cccc(C)c2)cc1 Show InChI InChI=1S/C25H30N2O2S/c1-5-26(6-2)23-16-12-22(13-17-23)19-27(24-14-10-20(3)11-15-24)30(28,29)25-9-7-8-21(4)18-25/h7-18H,5-6,19H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from CB2 receptor (unknown origin) after 1 hr by scintillation counting analysis				J Med Chem 56: 2045-58 (2013) Article DOI: 10.1021/jm3017464 BindingDB Entry DOI: 10.7270/Q2BK1DPW
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50428187 (CHEMBL2336536) Show SMILES CCN(CC)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C23H28N2O3S/c1-4-24(5-2)21-12-10-20(11-13-21)17-25(18-22-7-6-16-28-22)29(26,27)23-14-8-19(3)9-15-23/h6-16H,4-5,17-18H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
University of Pittsburgh Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cell membranes after 1 hr by scintillation counting analysis				ACS Med Chem Lett 4: 387-392 (2013) Article DOI: 10.1021/ml3004236 BindingDB Entry DOI: 10.7270/Q2MP54MQ
					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	10.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cells incubated for 1 hr				J Med Chem 55: 9973-87 (2012) Article DOI: 10.1021/jm301212u BindingDB Entry DOI: 10.7270/Q22808R5
					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	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cell membranes after 1 hr by scintillation counting analysis				ACS Med Chem Lett 4: 387-392 (2013) Article DOI: 10.1021/ml3004236 BindingDB Entry DOI: 10.7270/Q2MP54MQ
					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	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from CB1 receptor (unknown origin) after 1 hr by scintillation counting analysis				J Med Chem 56: 2045-58 (2013) Article DOI: 10.1021/jm3017464 BindingDB Entry DOI: 10.7270/Q2BK1DPW
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50427397 (CHEMBL2326285) Show SMILES CCN(CC)c1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C23H25ClN2O2S/c1-3-25(4-2)21-14-10-19(11-15-21)18-26(22-16-12-20(24)13-17-22)29(27,28)23-8-6-5-7-9-23/h5-17H,3-4,18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from CB2 receptor (unknown origin) after 1 hr by scintillation counting analysis				J Med Chem 56: 2045-58 (2013) Article DOI: 10.1021/jm3017464 BindingDB Entry DOI: 10.7270/Q2BK1DPW
					More data for this Ligand-Target Pair
Urease subunit beta (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM50493380 (CHEMBL2425469) Show SMILES ONC(=O)CC(O)c1cccc(Cl)c1 Show InChI InChI=1S/C9H10ClNO3/c10-7-3-1-2-6(4-7)8(12)5-9(13)11-14/h1-4,8,12,14H,5H2,(H,11,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jishou University Curated by ChEMBL					Assay Description Mixed-type competitive inhibition of Helicobacter pylori ATCC 43504 urease using urea as substrate by Lineweaver-burk plot analysis				Eur J Med Chem 68: 212-21 (2013) Article DOI: 10.1016/j.ejmech.2013.07.047 BindingDB Entry DOI: 10.7270/Q28G8PNR
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50428186 (CHEMBL2336537) Show SMILES CCN(CC)c1ccc(CN(Cc2cccs2)S(=O)(=O)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C23H28N2O2S2/c1-4-24(5-2)21-12-10-20(11-13-21)17-25(18-22-7-6-16-28-22)29(26,27)23-14-8-19(3)9-15-23/h6-16H,4-5,17-18H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cell membranes after 1 hr by scintillation counting analysis				ACS Med Chem Lett 4: 387-392 (2013) Article DOI: 10.1021/ml3004236 BindingDB Entry DOI: 10.7270/Q2MP54MQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50427422 (CHEMBL2326288) Show SMILES CCN(CC)c1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)cc2)cc1 Show InChI InChI=1S/C24H27ClN2O3S/c1-4-26(5-2)21-10-6-19(7-11-21)18-27(22-12-8-20(25)9-13-22)31(28,29)24-16-14-23(30-3)15-17-24/h6-17H,4-5,18H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from CB2 receptor (unknown origin) after 1 hr by scintillation counting analysis				J Med Chem 56: 2045-58 (2013) Article DOI: 10.1021/jm3017464 BindingDB Entry DOI: 10.7270/Q2BK1DPW
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50428183 (CHEMBL2336540) Show SMILES CCN(CC)c1ccc(CN(c2ncc(C)s2)S(=O)(=O)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C22H27N3O2S2/c1-5-24(6-2)20-11-9-19(10-12-20)16-25(22-23-15-18(4)28-22)29(26,27)21-13-7-17(3)8-14-21/h7-15H,5-6,16H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cell membranes after 1 hr by scintillation counting analysis				ACS Med Chem Lett 4: 387-392 (2013) Article DOI: 10.1021/ml3004236 BindingDB Entry DOI: 10.7270/Q2MP54MQ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM771 (3-[cyclopropyl(phenyl)methyl]-4-hydroxy-2H,5H,6H,7...) Show SMILES Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1ccccc1 Show InChI InChI=1S/C21H24O3/c22-20-16-10-6-1-2-7-11-17(16)24-21(23)19(20)18(15-12-13-15)14-8-4-3-5-9-14/h3-5,8-9,15,18,22H,1-2,6-7,10-13H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn					Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...				J Med Chem 37: 3200-4 (1994) Article DOI: 10.1021/jm00046a002 BindingDB Entry DOI: 10.7270/Q2KK98XK
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50428184 (CHEMBL2336539) Show SMILES CCN(CC)c1ccc(CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C24H34N2O2S/c1-4-25(5-2)22-15-13-21(14-16-22)19-26(23-9-7-6-8-10-23)29(27,28)24-17-11-20(3)12-18-24/h11-18,23H,4-10,19H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cell membranes after 1 hr by scintillation counting analysis				ACS Med Chem Lett 4: 387-392 (2013) Article DOI: 10.1021/ml3004236 BindingDB Entry DOI: 10.7270/Q2MP54MQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50427401 (CHEMBL2326311) Show SMILES CCN(CC)c1ccc(CN([C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)S(=O)(=O)c2cccc(C)c2)cc1 |r,TLB:18:13:20:16.17.19,18:17:14.13.12:20| Show InChI InChI=1S/C28H38N2O2S/c1-4-29(5-2)26-11-9-22(10-12-26)20-30(33(31,32)27-8-6-7-21(3)13-27)28-17-23-14-24(18-28)16-25(15-23)19-28/h6-13,23-25H,4-5,14-20H2,1-3H3/t23-,24+,25-,28-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from CB2 receptor (unknown origin) after 1 hr by scintillation counting analysis				J Med Chem 56: 2045-58 (2013) Article DOI: 10.1021/jm3017464 BindingDB Entry DOI: 10.7270/Q2BK1DPW
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50428178 (CHEMBL2336545) Show SMILES CCN(CC)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(OC)cc2)cc1 Show InChI InChI=1S/C23H28N2O4S/c1-4-24(5-2)20-10-8-19(9-11-20)17-25(18-22-7-6-16-29-22)30(26,27)23-14-12-21(28-3)13-15-23/h6-16H,4-5,17-18H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cell membranes after 1 hr by scintillation counting analysis				ACS Med Chem Lett 4: 387-392 (2013) Article DOI: 10.1021/ml3004236 BindingDB Entry DOI: 10.7270/Q2MP54MQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50399121 (CHEMBL2179751) Show SMILES CCCN(CCC)c1ccc(cc1)C(NC(=O)Cc1ccccc1)NC(=O)Cc1ccccc1 Show InChI InChI=1S/C29H35N3O2/c1-3-19-32(20-4-2)26-17-15-25(16-18-26)29(30-27(33)21-23-11-7-5-8-12-23)31-28(34)22-24-13-9-6-10-14-24/h5-18,29H,3-4,19-22H2,1-2H3,(H,30,33)(H,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cells incubated for 1 hr				J Med Chem 55: 9973-87 (2012) Article DOI: 10.1021/jm301212u BindingDB Entry DOI: 10.7270/Q22808R5
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50399121 (CHEMBL2179751) Show SMILES CCCN(CCC)c1ccc(cc1)C(NC(=O)Cc1ccccc1)NC(=O)Cc1ccccc1 Show InChI InChI=1S/C29H35N3O2/c1-3-19-32(20-4-2)26-17-15-25(16-18-26)29(30-27(33)21-23-11-7-5-8-12-23)31-28(34)22-24-13-9-6-10-14-24/h5-18,29H,3-4,19-22H2,1-2H3,(H,30,33)(H,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cells incubated for 1 hr				J Med Chem 55: 9973-87 (2012) Article DOI: 10.1021/jm301212u BindingDB Entry DOI: 10.7270/Q22808R5
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50399122 (CHEMBL2179734) Show SMILES CCCCCC(=O)NC(NC(=O)CCCCC)c1ccc(cc1)N(CC)CC Show InChI InChI=1S/C23H39N3O2/c1-5-9-11-13-21(27)24-23(25-22(28)14-12-10-6-2)19-15-17-20(18-16-19)26(7-3)8-4/h15-18,23H,5-14H2,1-4H3,(H,24,27)(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
University of Pittsburgh Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cells incubated for 1 hr				J Med Chem 55: 9973-87 (2012) Article DOI: 10.1021/jm301212u BindingDB Entry DOI: 10.7270/Q22808R5
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50399122 (CHEMBL2179734) Show SMILES CCCCCC(=O)NC(NC(=O)CCCCC)c1ccc(cc1)N(CC)CC Show InChI InChI=1S/C23H39N3O2/c1-5-9-11-13-21(27)24-23(25-22(28)14-12-10-6-2)19-15-17-20(18-16-19)26(7-3)8-4/h15-18,23H,5-14H2,1-4H3,(H,24,27)(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
University of Pittsburgh Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cells incubated for 1 hr				J Med Chem 55: 9973-87 (2012) Article DOI: 10.1021/jm301212u BindingDB Entry DOI: 10.7270/Q22808R5
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50427405 (CHEMBL2326307) Show SMILES CCN(CC)c1ccc(CN([C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)S(=O)(=O)c2ccc(F)cc2)cc1 |r,TLB:18:13:20:16.17.19,18:17:14.13.12:20| Show InChI InChI=1S/C27H35FN2O2S/c1-3-29(4-2)25-9-5-20(6-10-25)19-30(33(31,32)26-11-7-24(28)8-12-26)27-16-21-13-22(17-27)15-23(14-21)18-27/h5-12,21-23H,3-4,13-19H2,1-2H3/t21-,22+,23-,27-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
University of Pittsburgh Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from CB2 receptor (unknown origin) after 1 hr by scintillation counting analysis				J Med Chem 56: 2045-58 (2013) Article DOI: 10.1021/jm3017464 BindingDB Entry DOI: 10.7270/Q2BK1DPW
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50428179 (CHEMBL2336544) Show SMILES CCN(CC)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccc(cc2)C(C)C)cc1 Show InChI InChI=1S/C26H32N2O2S/c1-5-27(6-2)24-16-12-22(13-17-24)20-28(25-10-8-7-9-11-25)31(29,30)26-18-14-23(15-19-26)21(3)4/h7-19,21H,5-6,20H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cell membranes after 1 hr by scintillation counting analysis				ACS Med Chem Lett 4: 387-392 (2013) Article DOI: 10.1021/ml3004236 BindingDB Entry DOI: 10.7270/Q2MP54MQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50428177 (CHEMBL2336546) Show SMILES CCN(CC)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(cc2)C(C)C)cc1 Show InChI InChI=1S/C25H32N2O3S/c1-5-26(6-2)23-13-9-21(10-14-23)18-27(19-24-8-7-17-30-24)31(28,29)25-15-11-22(12-16-25)20(3)4/h7-17,20H,5-6,18-19H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cell membranes after 1 hr by scintillation counting analysis				ACS Med Chem Lett 4: 387-392 (2013) Article DOI: 10.1021/ml3004236 BindingDB Entry DOI: 10.7270/Q2MP54MQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50428173 (CHEMBL2336528) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)N1CCCCC1)c1ccccc1 Show InChI InChI=1S/C25H28N2O3S/c1-30-24-14-16-25(17-15-24)31(28,29)27(23-8-4-2-5-9-23)20-21-10-12-22(13-11-21)26-18-6-3-7-19-26/h2,4-5,8-17H,3,6-7,18-20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cell membranes after 1 hr by scintillation counting analysis				ACS Med Chem Lett 4: 387-392 (2013) Article DOI: 10.1021/ml3004236 BindingDB Entry DOI: 10.7270/Q2MP54MQ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [514-612] (Human immunodeficiency virus type 2)	BDBM770 (4-hydroxy-6-(1-phenylbutan-2-yl)-3-(1-phenylpropyl...) Show SMILES CCC(Cc1ccccc1)c1cc(O)c(C(CC)c2ccccc2)c(=O)o1 Show InChI InChI=1S/C24H26O3/c1-3-18(15-17-11-7-5-8-12-17)22-16-21(25)23(24(26)27-22)20(4-2)19-13-9-6-10-14-19/h5-14,16,18,20,25H,3-4,15H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn					Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...				J Med Chem 37: 3200-4 (1994) Article DOI: 10.1021/jm00046a002 BindingDB Entry DOI: 10.7270/Q2KK98XK
					More data for this Ligand-Target Pair
Genome polyprotein (Enterovirus A71)	BDBM50465887 (CHEMBL4279554) Show SMILES [H][C@@]1(OC(=O)N(C(C)C)C1=N)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc(C)on1 |r| Show InChI InChI=1S/C27H33FN6O6/c1-14(2)34-23(29)22(39-27(34)38)19(13-17-5-4-10-30-24(17)35)31-25(36)20(12-16-6-8-18(28)9-7-16)32-26(37)21-11-15(3)40-33-21/h6-9,11,14,17,19-20,22,29H,4-5,10,12-13H2,1-3H3,(H,30,35)(H,31,36)(H,32,37)/t17-,19-,20-,22+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nankai University Curated by ChEMBL					Assay Description Inhibition of EV71 3C protease expressed in Escherichia coli BL21(DE3) using NMA-IEALFQGPPK(DNP)FR as substrate preincubated for 0.5 hrs followed by ...				J Med Chem 61: 10333-10339 (2018) Article DOI: 10.1021/acs.jmedchem.8b01335 BindingDB Entry DOI: 10.7270/Q2N58Q1D
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50428188 (CHEMBL2336535) Show SMILES CCN(CC)c1ccc(CN(CC2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C25H36N2O2S/c1-4-26(5-2)24-15-13-23(14-16-24)20-27(19-22-9-7-6-8-10-22)30(28,29)25-17-11-21(3)12-18-25/h11-18,22H,4-10,19-20H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cell membranes after 1 hr by scintillation counting analysis				ACS Med Chem Lett 4: 387-392 (2013) Article DOI: 10.1021/ml3004236 BindingDB Entry DOI: 10.7270/Q2MP54MQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50427400 (CHEMBL2321921) Show SMILES CCN(CC)c1ccc(CN(C(=O)C2CCCCC2)[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)cc1 |r,TLB:26:21:28:24.25.27,26:25:22.21.20:28| Show InChI InChI=1S/C28H42N2O/c1-3-29(4-2)26-12-10-21(11-13-26)20-30(27(31)25-8-6-5-7-9-25)28-17-22-14-23(18-28)16-24(15-22)19-28/h10-13,22-25H,3-9,14-20H2,1-2H3/t22-,23+,24-,28-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from CB2 receptor (unknown origin) after 1 hr by scintillation counting analysis				J Med Chem 56: 2045-58 (2013) Article DOI: 10.1021/jm3017464 BindingDB Entry DOI: 10.7270/Q2BK1DPW
					More data for this Ligand-Target Pair
Genome polyprotein (Enterovirus A71)	BDBM50465881 (CHEMBL4292785) Show SMILES CC(C)NC(=O)O[C@@H](C#N)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc(C)on1 |r| Show InChI InChI=1S/C27H33FN6O6/c1-15(2)31-27(38)39-23(14-29)20(13-18-5-4-10-30-24(18)35)32-25(36)21(12-17-6-8-19(28)9-7-17)33-26(37)22-11-16(3)40-34-22/h6-9,11,15,18,20-21,23H,4-5,10,12-13H2,1-3H3,(H,30,35)(H,31,38)(H,32,36)(H,33,37)/t18-,20-,21-,23-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nankai University Curated by ChEMBL					Assay Description Inhibition of EV71 3C protease expressed in Escherichia coli BL21(DE3) using NMA-IEALFQGPPK(DNP)FR as substrate preincubated for 0.5 hrs followed by ...				J Med Chem 61: 10333-10339 (2018) Article DOI: 10.1021/acs.jmedchem.8b01335 BindingDB Entry DOI: 10.7270/Q2N58Q1D
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50428182 (CHEMBL2336541) Show SMILES CCN(CC)c1ccc(CN(C2CCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C23H32N2O2S/c1-4-24(5-2)21-14-12-20(13-15-21)18-25(22-8-6-7-9-22)28(26,27)23-16-10-19(3)11-17-23/h10-17,22H,4-9,18H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cell membranes after 1 hr by scintillation counting analysis				ACS Med Chem Lett 4: 387-392 (2013) Article DOI: 10.1021/ml3004236 BindingDB Entry DOI: 10.7270/Q2MP54MQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50427423 (CHEMBL2326287) Show SMILES CCN(CC)c1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C23H24Cl2N2O2S/c1-3-26(4-2)21-11-5-18(6-12-21)17-27(22-13-7-19(24)8-14-22)30(28,29)23-15-9-20(25)10-16-23/h5-16H,3-4,17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from CB2 receptor (unknown origin) after 1 hr by scintillation counting analysis				J Med Chem 56: 2045-58 (2013) Article DOI: 10.1021/jm3017464 BindingDB Entry DOI: 10.7270/Q2BK1DPW
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50427421 (CHEMBL2326289) Show SMILES CCN(CC)c1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C24H27ClN2O2S/c1-4-26(5-2)22-12-8-20(9-13-22)18-27(23-14-10-21(25)11-15-23)30(28,29)24-16-6-19(3)7-17-24/h6-17H,4-5,18H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from CB2 receptor (unknown origin) after 1 hr by scintillation counting analysis				J Med Chem 56: 2045-58 (2013) Article DOI: 10.1021/jm3017464 BindingDB Entry DOI: 10.7270/Q2BK1DPW
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50427399 (CHEMBL2326032) Show SMILES CCN(CC)c1ccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)cc1 |r,TLB:28:23:30:26.27.29,28:27:24.23.22:30| Show InChI InChI=1S/C29H37ClN2O/c1-3-31(4-2)27-11-7-22(8-12-27)20-32(28(33)16-21-5-9-26(30)10-6-21)29-17-23-13-24(18-29)15-25(14-23)19-29/h5-12,23-25H,3-4,13-20H2,1-2H3/t23-,24+,25-,29-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from CB2 receptor (unknown origin) after 1 hr by scintillation counting analysis				J Med Chem 56: 2045-58 (2013) Article DOI: 10.1021/jm3017464 BindingDB Entry DOI: 10.7270/Q2BK1DPW
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM770 (4-hydroxy-6-(1-phenylbutan-2-yl)-3-(1-phenylpropyl...) Show SMILES CCC(Cc1ccccc1)c1cc(O)c(C(CC)c2ccccc2)c(=O)o1 Show InChI InChI=1S/C24H26O3/c1-3-18(15-17-11-7-5-8-12-17)22-16-21(25)23(24(26)27-22)20(4-2)19-13-9-6-10-14-19/h5-14,16,18,20,25H,3-4,15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn					Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...				J Med Chem 37: 3200-4 (1994) Article DOI: 10.1021/jm00046a002 BindingDB Entry DOI: 10.7270/Q2KK98XK
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50428194 (CHEMBL2336552) Show SMILES Cc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)Cc1ccc(cc1)N1CCCCC1 Show InChI InChI=1S/C26H30N2O2S/c1-22-10-16-26(17-11-22)31(29,30)28(20-23-8-4-2-5-9-23)21-24-12-14-25(15-13-24)27-18-6-3-7-19-27/h2,4-5,8-17H,3,6-7,18-21H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cell membranes after 1 hr by scintillation counting analysis				ACS Med Chem Lett 4: 387-392 (2013) Article DOI: 10.1021/ml3004236 BindingDB Entry DOI: 10.7270/Q2MP54MQ
					More data for this Ligand-Target Pair
Urease subunit beta (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM50493373 (CHEMBL2425478) Show SMILES ONC(=O)CC(O)c1cccc(Cl)c1Cl Show InChI InChI=1S/C9H9Cl2NO3/c10-6-3-1-2-5(9(6)11)7(13)4-8(14)12-15/h1-3,7,13,15H,4H2,(H,12,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jishou University Curated by ChEMBL					Assay Description Mixed-type competitive inhibition of Helicobacter pylori ATCC 43504 urease using urea as substrate by Lineweaver-burk plot analysis				Eur J Med Chem 68: 212-21 (2013) Article DOI: 10.1016/j.ejmech.2013.07.047 BindingDB Entry DOI: 10.7270/Q28G8PNR
					More data for this Ligand-Target Pair
Genome polyprotein (Enterovirus A71)	BDBM50465878 (CHEMBL4279370) Show SMILES CNC(=O)O[C@H](C#N)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc(C)on1 |r| Show InChI InChI=1S/C25H29FN6O6/c1-14-10-20(32-38-14)24(35)31-19(11-15-5-7-17(26)8-6-15)23(34)30-18(21(13-27)37-25(36)28-2)12-16-4-3-9-29-22(16)33/h5-8,10,16,18-19,21H,3-4,9,11-12H2,1-2H3,(H,28,36)(H,29,33)(H,30,34)(H,31,35)/t16-,18-,19-,21+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nankai University Curated by ChEMBL					Assay Description Inhibition of EV71 3C protease expressed in Escherichia coli BL21(DE3) using NMA-IEALFQGPPK(DNP)FR as substrate preincubated for 0.5 hrs followed by ...				J Med Chem 61: 10333-10339 (2018) Article DOI: 10.1021/acs.jmedchem.8b01335 BindingDB Entry DOI: 10.7270/Q2N58Q1D
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50428190 (CHEMBL2336566) Show SMILES CCN(CC)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1 Show InChI InChI=1S/C25H30N2O3S/c1-4-26(5-2)23-13-11-22(12-14-23)20-27(19-21-9-7-6-8-10-21)31(28,29)25-17-15-24(30-3)16-18-25/h6-18H,4-5,19-20H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cell membranes after 1 hr by scintillation counting analysis				ACS Med Chem Lett 4: 387-392 (2013) Article DOI: 10.1021/ml3004236 BindingDB Entry DOI: 10.7270/Q2MP54MQ
					More data for this Ligand-Target Pair

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