Compile Data Set for Download or QSAR

Found 190 hits with Last Name = 'das sarma' and Initial = 'k'   

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))	BDBM50402859 (CHEMBL2205591) Show SMILES FC(F)(F)c1ccccc1C(=O)Nc1sc2COCCc2c1C(=O)N1CC(F)(F)C1 Show InChI InChI=1S/C19H15F5N2O3S/c20-18(21)8-26(9-18)17(28)14-11-5-6-29-7-13(11)30-16(14)25-15(27)10-3-1-2-4-12(10)19(22,23)24/h1-4H,5-9H2,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	81.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-CP55,940 from human CB2 receptor after 60 mins by microscintillation counting analysis				Bioorg Med Chem Lett 22: 7314-21 (2012) Article DOI: 10.1016/j.bmcl.2012.10.087 BindingDB Entry DOI: 10.7270/Q2QR4Z9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50402858 (CHEMBL2205592) Show SMILES FC(F)(F)Oc1ccccc1C(=O)Nc1sc2COCCc2c1C(=O)N1CC(F)(F)C1 Show InChI InChI=1S/C19H15F5N2O4S/c20-18(21)8-26(9-18)17(28)14-11-5-6-29-7-13(11)31-16(14)25-15(27)10-3-1-2-4-12(10)30-19(22,23)24/h1-4H,5-9H2,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-CP55,940 from human CB2 receptor after 60 mins by microscintillation counting analysis				Bioorg Med Chem Lett 22: 7314-21 (2012) Article DOI: 10.1016/j.bmcl.2012.10.087 BindingDB Entry DOI: 10.7270/Q2QR4Z9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50402864 (CHEMBL2205615) Show SMILES FC(F)(F)c1ccccc1C(=O)Nc1sc2COCCc2c1C(=O)N1CCCCC1 Show InChI InChI=1S/C21H21F3N2O3S/c22-21(23,24)15-7-3-2-6-13(15)18(27)25-19-17(14-8-11-29-12-16(14)30-19)20(28)26-9-4-1-5-10-26/h2-3,6-7H,1,4-5,8-12H2,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	241	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-CP55,940 from human CB2 receptor after 60 mins by microscintillation counting analysis				Bioorg Med Chem Lett 22: 7314-21 (2012) Article DOI: 10.1016/j.bmcl.2012.10.087 BindingDB Entry DOI: 10.7270/Q2QR4Z9V
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50380754 (CHEMBL2017853) Show SMILES COc1ccc(cc1)C(Cc1ccc(cc1)-c1cc(on1)C(O)=O)c1nc(no1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C27H20ClN3O5/c1-34-21-12-8-17(9-13-21)22(26-29-25(31-36-26)19-6-10-20(28)11-7-19)14-16-2-4-18(5-3-16)23-15-24(27(32)33)35-30-23/h2-13,15,22H,14H2,1H3,(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b...				Bioorg Med Chem Lett 22: 2843-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.070 BindingDB Entry DOI: 10.7270/Q2FB53ZS
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50402863 (CHEMBL2205616) Show SMILES FC(F)(F)Oc1ccccc1C(=O)Nc1sc2COCCc2c1C(=O)N1CCCCC1 Show InChI InChI=1S/C21H21F3N2O4S/c22-21(23,24)30-15-7-3-2-6-13(15)18(27)25-19-17(14-8-11-29-12-16(14)31-19)20(28)26-9-4-1-5-10-26/h2-3,6-7H,1,4-5,8-12H2,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	347	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-CP55,940 from human CB2 receptor after 60 mins by microscintillation counting analysis				Bioorg Med Chem Lett 22: 7314-21 (2012) Article DOI: 10.1016/j.bmcl.2012.10.087 BindingDB Entry DOI: 10.7270/Q2QR4Z9V
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50380753 (CHEMBL2017852) Show SMILES COc1ccc(cc1)-c1noc(n1)C(Cc1ccc(cc1)-c1cc(on1)C(O)=O)c1ccc(F)cc1 Show InChI InChI=1S/C27H20FN3O5/c1-34-21-12-8-19(9-13-21)25-29-26(36-31-25)22(17-6-10-20(28)11-7-17)14-16-2-4-18(5-3-16)23-15-24(27(32)33)35-30-23/h2-13,15,22H,14H2,1H3,(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b...				Bioorg Med Chem Lett 22: 2843-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.070 BindingDB Entry DOI: 10.7270/Q2FB53ZS
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50402857 (CHEMBL2205593) Show SMILES Fc1cccc(c1C(=O)Nc1sc2COCCc2c1C(=O)N1CC(F)(F)C1)C(F)(F)F Show InChI InChI=1S/C19H14F6N2O3S/c20-11-3-1-2-10(19(23,24)25)14(11)15(28)26-16-13(9-4-5-30-6-12(9)31-16)17(29)27-7-18(21,22)8-27/h1-3H,4-8H2,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	444	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-CP55,940 from human CB2 receptor after 60 mins by microscintillation counting analysis				Bioorg Med Chem Lett 22: 7314-21 (2012) Article DOI: 10.1016/j.bmcl.2012.10.087 BindingDB Entry DOI: 10.7270/Q2QR4Z9V
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50380755 (CHEMBL2017854) Show SMILES OC(=O)c1csc(n1)-c1ccc(CC(c2nc(no2)-c2cccc(F)c2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C26H17F2N3O3S/c27-19-10-8-16(9-11-19)21(24-30-23(31-34-24)18-2-1-3-20(28)13-18)12-15-4-6-17(7-5-15)25-29-22(14-35-25)26(32)33/h1-11,13-14,21H,12H2,(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b...				Bioorg Med Chem Lett 22: 2843-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.070 BindingDB Entry DOI: 10.7270/Q2FB53ZS
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50380756 (CHEMBL2017855) Show SMILES COc1ccc(cc1)C(Cc1ccc(cc1)-c1nc(cs1)C(O)=O)c1nc(no1)-c1cccc(F)c1 Show InChI InChI=1S/C27H20FN3O4S/c1-34-21-11-9-17(10-12-21)22(25-30-24(31-35-25)19-3-2-4-20(28)14-19)13-16-5-7-18(8-6-16)26-29-23(15-36-26)27(32)33/h2-12,14-15,22H,13H2,1H3,(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b...				Bioorg Med Chem Lett 22: 2843-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.070 BindingDB Entry DOI: 10.7270/Q2FB53ZS
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM50402859 (CHEMBL2205591) Show SMILES FC(F)(F)c1ccccc1C(=O)Nc1sc2COCCc2c1C(=O)N1CC(F)(F)C1 Show InChI InChI=1S/C19H15F5N2O3S/c20-18(21)8-26(9-18)17(28)14-11-5-6-29-7-13(11)30-16(14)25-15(27)10-3-1-2-4-12(10)19(22,23)24/h1-4H,5-9H2,(H,25,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	594	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-CP55,940 from rat CB2 receptor after 60 mins by microscintillation counting analysis				Bioorg Med Chem Lett 22: 7314-21 (2012) Article DOI: 10.1016/j.bmcl.2012.10.087 BindingDB Entry DOI: 10.7270/Q2QR4Z9V
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50380751 (CHEMBL2017850) Show SMILES OC(=O)c1csc(n1)-c1ccc(CC(C(=O)c2ccc(Cl)cc2)c2ccc(F)c(F)c2)cc1 Show InChI InChI=1S/C25H16ClF2NO3S/c26-18-8-5-15(6-9-18)23(30)19(17-7-10-20(27)21(28)12-17)11-14-1-3-16(4-2-14)24-29-22(13-33-24)25(31)32/h1-10,12-13,19H,11H2,(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b...				Bioorg Med Chem Lett 22: 2843-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.070 BindingDB Entry DOI: 10.7270/Q2FB53ZS
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM50402857 (CHEMBL2205593) Show SMILES Fc1cccc(c1C(=O)Nc1sc2COCCc2c1C(=O)N1CC(F)(F)C1)C(F)(F)F Show InChI InChI=1S/C19H14F6N2O3S/c20-11-3-1-2-10(19(23,24)25)14(11)15(28)26-16-13(9-4-5-30-6-12(9)31-16)17(29)27-7-18(21,22)8-27/h1-3H,4-8H2,(H,26,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-CP55,940 from rat CB2 receptor after 60 mins by microscintillation counting analysis				Bioorg Med Chem Lett 22: 7314-21 (2012) Article DOI: 10.1016/j.bmcl.2012.10.087 BindingDB Entry DOI: 10.7270/Q2QR4Z9V
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50380749 (CHEMBL2017848) Show SMILES OC(=O)c1cc(no1)-c1ccc(CC(C(=O)c2ccc(Cl)cc2)c2ccc(F)c(F)c2)cc1 Show InChI InChI=1S/C25H16ClF2NO4/c26-18-8-5-16(6-9-18)24(30)19(17-7-10-20(27)21(28)12-17)11-14-1-3-15(4-2-14)22-13-23(25(31)32)33-29-22/h1-10,12-13,19H,11H2,(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b...				Bioorg Med Chem Lett 22: 2843-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.070 BindingDB Entry DOI: 10.7270/Q2FB53ZS
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50402860 (CHEMBL2205588) Show SMILES COC1CN(C1)C(=O)c1c(NC(=O)c2ccccc2C(F)(F)F)sc2COCCc12 Show InChI InChI=1S/C20H19F3N2O4S/c1-28-11-8-25(9-11)19(27)16-13-6-7-29-10-15(13)30-18(16)24-17(26)12-4-2-3-5-14(12)20(21,22)23/h2-5,11H,6-10H2,1H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	899	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-CP55,940 from human CB2 receptor after 60 mins by microscintillation counting analysis				Bioorg Med Chem Lett 22: 7314-21 (2012) Article DOI: 10.1016/j.bmcl.2012.10.087 BindingDB Entry DOI: 10.7270/Q2QR4Z9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50402861 (CHEMBL2205584) Show SMILES COCCNC(=O)c1c(NC(=O)c2c(F)cccc2C(F)(F)F)sc2COCCc12 Show InChI InChI=1S/C19H18F4N2O4S/c1-28-8-6-24-16(26)14-10-5-7-29-9-13(10)30-18(14)25-17(27)15-11(19(21,22)23)3-2-4-12(15)20/h2-4H,5-9H2,1H3,(H,24,26)(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	904	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-CP55,940 from human CB2 receptor after 60 mins by microscintillation counting analysis				Bioorg Med Chem Lett 22: 7314-21 (2012) Article DOI: 10.1016/j.bmcl.2012.10.087 BindingDB Entry DOI: 10.7270/Q2QR4Z9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50402862 (CHEMBL2205620) Show SMILES COCCNC(=O)c1c(NC(=O)c2ccccc2C(F)(F)F)sc2COCCc12 Show InChI InChI=1S/C19H19F3N2O4S/c1-27-9-7-23-17(26)15-12-6-8-28-10-14(12)29-18(15)24-16(25)11-4-2-3-5-13(11)19(20,21)22/h2-5H,6-10H2,1H3,(H,23,26)(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	999	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-CP55,940 from human CB2 receptor after 60 mins by microscintillation counting analysis				Bioorg Med Chem Lett 22: 7314-21 (2012) Article DOI: 10.1016/j.bmcl.2012.10.087 BindingDB Entry DOI: 10.7270/Q2QR4Z9V
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50380738 (CHEMBL2017836) Show SMILES OC(=O)c1cc(no1)-c1ccc(CC(C(=O)c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C25H19NO4/c27-24(20-9-5-2-6-10-20)21(18-7-3-1-4-8-18)15-17-11-13-19(14-12-17)22-16-23(25(28)29)30-26-22/h1-14,16,21H,15H2,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b...				Bioorg Med Chem Lett 22: 2843-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.070 BindingDB Entry DOI: 10.7270/Q2FB53ZS
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50380741 (CHEMBL2017840) Show SMILES OC(=O)c1csc(n1)-c1ccc(CC(C(=O)c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C25H19NO3S/c27-23(19-9-5-2-6-10-19)21(18-7-3-1-4-8-18)15-17-11-13-20(14-12-17)24-26-22(16-30-24)25(28)29/h1-14,16,21H,15H2,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Advinus Therapeutics Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b...				Bioorg Med Chem Lett 22: 2843-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.070 BindingDB Entry DOI: 10.7270/Q2FB53ZS
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50380748 (CHEMBL2017847) Show SMILES OC(=O)c1cc(no1)-c1ccc(CC(C(=O)c2ccc(F)c(F)c2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C25H16F3NO4/c26-18-8-5-15(6-9-18)19(24(30)17-7-10-20(27)21(28)12-17)11-14-1-3-16(4-2-14)22-13-23(25(31)32)33-29-22/h1-10,12-13,19H,11H2,(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b...				Bioorg Med Chem Lett 22: 2843-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.070 BindingDB Entry DOI: 10.7270/Q2FB53ZS
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50380747 (CHEMBL2017846) Show SMILES OC(=O)c1cc(no1)-c1ccc(CC(C(=O)c2ccc(F)cc2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C25H17F2NO4/c26-19-9-5-16(6-10-19)21(24(29)18-7-11-20(27)12-8-18)13-15-1-3-17(4-2-15)22-14-23(25(30)31)32-28-22/h1-12,14,21H,13H2,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b...				Bioorg Med Chem Lett 22: 2843-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.070 BindingDB Entry DOI: 10.7270/Q2FB53ZS
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM50402864 (CHEMBL2205615) Show SMILES FC(F)(F)c1ccccc1C(=O)Nc1sc2COCCc2c1C(=O)N1CCCCC1 Show InChI InChI=1S/C21H21F3N2O3S/c22-21(23,24)15-7-3-2-6-13(15)18(27)25-19-17(14-8-11-29-12-16(14)30-19)20(28)26-9-4-1-5-10-26/h2-3,6-7H,1,4-5,8-12H2,(H,25,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.61E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-CP55,940 from rat CB2 receptor after 60 mins by microscintillation counting analysis				Bioorg Med Chem Lett 22: 7314-21 (2012) Article DOI: 10.1016/j.bmcl.2012.10.087 BindingDB Entry DOI: 10.7270/Q2QR4Z9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM50402861 (CHEMBL2205584) Show SMILES COCCNC(=O)c1c(NC(=O)c2c(F)cccc2C(F)(F)F)sc2COCCc12 Show InChI InChI=1S/C19H18F4N2O4S/c1-28-8-6-24-16(26)14-10-5-7-29-9-13(10)30-18(14)25-17(27)15-11(19(21,22)23)3-2-4-12(15)20/h2-4H,5-9H2,1H3,(H,24,26)(H,25,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-CP55,940 from rat CB2 receptor after 60 mins by microscintillation counting analysis				Bioorg Med Chem Lett 22: 7314-21 (2012) Article DOI: 10.1016/j.bmcl.2012.10.087 BindingDB Entry DOI: 10.7270/Q2QR4Z9V
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50380750 (CHEMBL2017849) Show SMILES OC(=O)c1csc(n1)-c1ccc(CC(C(=O)c2ccc(F)c(F)c2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C25H16F3NO3S/c26-18-8-5-15(6-9-18)19(23(30)17-7-10-20(27)21(28)12-17)11-14-1-3-16(4-2-14)24-29-22(13-33-24)25(31)32/h1-10,12-13,19H,11H2,(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Advinus Therapeutics Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b...				Bioorg Med Chem Lett 22: 2843-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.070 BindingDB Entry DOI: 10.7270/Q2FB53ZS
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM50402863 (CHEMBL2205616) Show SMILES FC(F)(F)Oc1ccccc1C(=O)Nc1sc2COCCc2c1C(=O)N1CCCCC1 Show InChI InChI=1S/C21H21F3N2O4S/c22-21(23,24)30-15-7-3-2-6-13(15)18(27)25-19-17(14-8-11-29-12-16(14)31-19)20(28)26-9-4-1-5-10-26/h2-3,6-7H,1,4-5,8-12H2,(H,25,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-CP55,940 from rat CB2 receptor after 60 mins by microscintillation counting analysis				Bioorg Med Chem Lett 22: 7314-21 (2012) Article DOI: 10.1016/j.bmcl.2012.10.087 BindingDB Entry DOI: 10.7270/Q2QR4Z9V
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50380746 (CHEMBL2017845) Show SMILES OC(=O)c1cc(no1)-c1ccc(CC(C(=O)c2cc(F)cc(F)c2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C25H16F3NO4/c26-18-7-5-15(6-8-18)21(24(30)17-10-19(27)12-20(28)11-17)9-14-1-3-16(4-2-14)22-13-23(25(31)32)33-29-22/h1-8,10-13,21H,9H2,(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b...				Bioorg Med Chem Lett 22: 2843-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.070 BindingDB Entry DOI: 10.7270/Q2FB53ZS
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM50402862 (CHEMBL2205620) Show SMILES COCCNC(=O)c1c(NC(=O)c2ccccc2C(F)(F)F)sc2COCCc12 Show InChI InChI=1S/C19H19F3N2O4S/c1-27-9-7-23-17(26)15-12-6-8-28-10-14(12)29-18(15)24-16(25)11-4-2-3-5-13(11)19(20,21)22/h2-5H,6-10H2,1H3,(H,23,26)(H,24,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.54E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-CP55,940 from rat CB2 receptor after 60 mins by microscintillation counting analysis				Bioorg Med Chem Lett 22: 7314-21 (2012) Article DOI: 10.1016/j.bmcl.2012.10.087 BindingDB Entry DOI: 10.7270/Q2QR4Z9V
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50380742 (CHEMBL2017841) Show SMILES OC(=O)c1ccc([nH]1)-c1ccc(CC(C(=O)c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C26H21NO3/c28-25(21-9-5-2-6-10-21)22(19-7-3-1-4-8-19)17-18-11-13-20(14-12-18)23-15-16-24(27-23)26(29)30/h1-16,22,27H,17H2,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b...				Bioorg Med Chem Lett 22: 2843-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.070 BindingDB Entry DOI: 10.7270/Q2FB53ZS
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM50402860 (CHEMBL2205588) Show SMILES COC1CN(C1)C(=O)c1c(NC(=O)c2ccccc2C(F)(F)F)sc2COCCc12 Show InChI InChI=1S/C20H19F3N2O4S/c1-28-11-8-25(9-11)19(27)16-13-6-7-29-10-15(13)30-18(16)24-17(26)12-4-2-3-5-14(12)20(21,22)23/h2-5,11H,6-10H2,1H3,(H,24,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.11E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-CP55,940 from rat CB2 receptor after 60 mins by microscintillation counting analysis				Bioorg Med Chem Lett 22: 7314-21 (2012) Article DOI: 10.1016/j.bmcl.2012.10.087 BindingDB Entry DOI: 10.7270/Q2QR4Z9V
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50380752 (CHEMBL2017851) Show SMILES OC(=O)c1cc(no1)-c1ccc(CC(c2nc(no2)-c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C26H19N3O4/c30-26(31)23-16-22(28-32-23)19-13-11-17(12-14-19)15-21(18-7-3-1-4-8-18)25-27-24(29-33-25)20-9-5-2-6-10-20/h1-14,16,21H,15H2,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b...				Bioorg Med Chem Lett 22: 2843-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.070 BindingDB Entry DOI: 10.7270/Q2FB53ZS
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM50402858 (CHEMBL2205592) Show SMILES FC(F)(F)Oc1ccccc1C(=O)Nc1sc2COCCc2c1C(=O)N1CC(F)(F)C1 Show InChI InChI=1S/C19H15F5N2O4S/c20-18(21)8-26(9-18)17(28)14-11-5-6-29-7-13(11)31-16(14)25-15(27)10-3-1-2-4-12(10)30-19(22,23)24/h1-4H,5-9H2,(H,25,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-CP55,940 from rat CB2 receptor after 60 mins by microscintillation counting analysis				Bioorg Med Chem Lett 22: 7314-21 (2012) Article DOI: 10.1016/j.bmcl.2012.10.087 BindingDB Entry DOI: 10.7270/Q2QR4Z9V
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50380744 (CHEMBL2017843) Show SMILES OC(=O)C1CCN(C1=O)c1ccc(CC(C(=O)c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C26H23NO4/c28-24(20-9-5-2-6-10-20)23(19-7-3-1-4-8-19)17-18-11-13-21(14-12-18)27-16-15-22(25(27)29)26(30)31/h1-14,22-23H,15-17H2,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b...				Bioorg Med Chem Lett 22: 2843-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.070 BindingDB Entry DOI: 10.7270/Q2FB53ZS
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM13990 (5-{2-fluoro-5-[(1E)-3-[3-hydroxy-2-(methoxycarbony...) Show SMILES COC(=O)c1c(O)cccc1OC\C=C\c1ccc(F)c(c1)-c1cc(no1)C(O)=O Show InChI InChI=1S/C21H16FNO7/c1-28-21(27)19-16(24)5-2-6-17(19)29-9-3-4-12-7-8-14(22)13(10-12)18-11-15(20(25)26)23-30-18/h2-8,10-11,24H,9H2,1H3,(H,25,26)/b4-3+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b...				Bioorg Med Chem Lett 22: 2843-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.070 BindingDB Entry DOI: 10.7270/Q2FB53ZS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50402859 (CHEMBL2205591) Show SMILES FC(F)(F)c1ccccc1C(=O)Nc1sc2COCCc2c1C(=O)N1CC(F)(F)C1 Show InChI InChI=1S/C19H15F5N2O3S/c20-18(21)8-26(9-18)17(28)14-11-5-6-29-7-13(11)30-16(14)25-15(27)10-3-1-2-4-12(10)19(22,23)24/h1-4H,5-9H2,(H,25,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.19E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-CP55,940 from human CB1 receptor after 60 mins by microscintillation counting analysis				Bioorg Med Chem Lett 22: 7314-21 (2012) Article DOI: 10.1016/j.bmcl.2012.10.087 BindingDB Entry DOI: 10.7270/Q2QR4Z9V
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50380743 (CHEMBL2017842) Show SMILES OC(=O)C1CN(C(=O)C1)c1ccc(CC(C(=O)c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C26H23NO4/c28-24-16-21(26(30)31)17-27(24)22-13-11-18(12-14-22)15-23(19-7-3-1-4-8-19)25(29)20-9-5-2-6-10-20/h1-14,21,23H,15-17H2,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b...				Bioorg Med Chem Lett 22: 2843-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.070 BindingDB Entry DOI: 10.7270/Q2FB53ZS
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50380737 (CHEMBL2017838) Show SMILES Cn1nc(cc1C(O)=O)-c1ccc(CC(C(=O)c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C26H22N2O3/c1-28-24(26(30)31)17-23(27-28)20-14-12-18(13-15-20)16-22(19-8-4-2-5-9-19)25(29)21-10-6-3-7-11-21/h2-15,17,22H,16H2,1H3,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b...				Bioorg Med Chem Lett 22: 2843-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.070 BindingDB Entry DOI: 10.7270/Q2FB53ZS
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50380740 (CHEMBL2017839) Show SMILES OC(=O)c1coc(n1)-c1ccc(CC(C(=O)c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C25H19NO4/c27-23(19-9-5-2-6-10-19)21(18-7-3-1-4-8-18)15-17-11-13-20(14-12-17)24-26-22(16-30-24)25(28)29/h1-14,16,21H,15H2,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b...				Bioorg Med Chem Lett 22: 2843-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.070 BindingDB Entry DOI: 10.7270/Q2FB53ZS
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50402857 (CHEMBL2205593) Show SMILES Fc1cccc(c1C(=O)Nc1sc2COCCc2c1C(=O)N1CC(F)(F)C1)C(F)(F)F Show InChI InChI=1S/C19H14F6N2O3S/c20-11-3-1-2-10(19(23,24)25)14(11)15(28)26-16-13(9-4-5-30-6-12(9)31-16)17(29)27-7-18(21,22)8-27/h1-3H,4-8H2,(H,26,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.11E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-CP55,940 from human CB1 receptor after 60 mins by microscintillation counting analysis				Bioorg Med Chem Lett 22: 7314-21 (2012) Article DOI: 10.1016/j.bmcl.2012.10.087 BindingDB Entry DOI: 10.7270/Q2QR4Z9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50402864 (CHEMBL2205615) Show SMILES FC(F)(F)c1ccccc1C(=O)Nc1sc2COCCc2c1C(=O)N1CCCCC1 Show InChI InChI=1S/C21H21F3N2O3S/c22-21(23,24)15-7-3-2-6-13(15)18(27)25-19-17(14-8-11-29-12-16(14)30-19)20(28)26-9-4-1-5-10-26/h2-3,6-7H,1,4-5,8-12H2,(H,25,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.17E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-CP55,940 from human CB1 receptor after 60 mins by microscintillation counting analysis				Bioorg Med Chem Lett 22: 7314-21 (2012) Article DOI: 10.1016/j.bmcl.2012.10.087 BindingDB Entry DOI: 10.7270/Q2QR4Z9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50402857 (CHEMBL2205593) Show SMILES Fc1cccc(c1C(=O)Nc1sc2COCCc2c1C(=O)N1CC(F)(F)C1)C(F)(F)F Show InChI InChI=1S/C19H14F6N2O3S/c20-11-3-1-2-10(19(23,24)25)14(11)15(28)26-16-13(9-4-5-30-6-12(9)31-16)17(29)27-7-18(21,22)8-27/h1-3H,4-8H2,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-CP55,940 from rat CB1 receptor after 60 mins by microscintillation counting analysis				Bioorg Med Chem Lett 22: 7314-21 (2012) Article DOI: 10.1016/j.bmcl.2012.10.087 BindingDB Entry DOI: 10.7270/Q2QR4Z9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50402864 (CHEMBL2205615) Show SMILES FC(F)(F)c1ccccc1C(=O)Nc1sc2COCCc2c1C(=O)N1CCCCC1 Show InChI InChI=1S/C21H21F3N2O3S/c22-21(23,24)15-7-3-2-6-13(15)18(27)25-19-17(14-8-11-29-12-16(14)30-19)20(28)26-9-4-1-5-10-26/h2-3,6-7H,1,4-5,8-12H2,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.51E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-CP55,940 from rat CB1 receptor after 60 mins by microscintillation counting analysis				Bioorg Med Chem Lett 22: 7314-21 (2012) Article DOI: 10.1016/j.bmcl.2012.10.087 BindingDB Entry DOI: 10.7270/Q2QR4Z9V
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50380739 (CHEMBL2017837) Show SMILES OC(=O)c1cc(n[nH]1)-c1ccc(CC(C(=O)c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C25H20N2O3/c28-24(20-9-5-2-6-10-20)21(18-7-3-1-4-8-18)15-17-11-13-19(14-12-17)22-16-23(25(29)30)27-26-22/h1-14,16,21H,15H2,(H,26,27)(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.63E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b...				Bioorg Med Chem Lett 22: 2843-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.070 BindingDB Entry DOI: 10.7270/Q2FB53ZS
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50402863 (CHEMBL2205616) Show SMILES FC(F)(F)Oc1ccccc1C(=O)Nc1sc2COCCc2c1C(=O)N1CCCCC1 Show InChI InChI=1S/C21H21F3N2O4S/c22-21(23,24)30-15-7-3-2-6-13(15)18(27)25-19-17(14-8-11-29-12-16(14)31-19)20(28)26-9-4-1-5-10-26/h2-3,6-7H,1,4-5,8-12H2,(H,25,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.94E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-CP55,940 from human CB1 receptor after 60 mins by microscintillation counting analysis				Bioorg Med Chem Lett 22: 7314-21 (2012) Article DOI: 10.1016/j.bmcl.2012.10.087 BindingDB Entry DOI: 10.7270/Q2QR4Z9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50402863 (CHEMBL2205616) Show SMILES FC(F)(F)Oc1ccccc1C(=O)Nc1sc2COCCc2c1C(=O)N1CCCCC1 Show InChI InChI=1S/C21H21F3N2O4S/c22-21(23,24)30-15-7-3-2-6-13(15)18(27)25-19-17(14-8-11-29-12-16(14)31-19)20(28)26-9-4-1-5-10-26/h2-3,6-7H,1,4-5,8-12H2,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.26E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-CP55,940 from rat CB1 receptor after 60 mins by microscintillation counting analysis				Bioorg Med Chem Lett 22: 7314-21 (2012) Article DOI: 10.1016/j.bmcl.2012.10.087 BindingDB Entry DOI: 10.7270/Q2QR4Z9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50402860 (CHEMBL2205588) Show SMILES COC1CN(C1)C(=O)c1c(NC(=O)c2ccccc2C(F)(F)F)sc2COCCc12 Show InChI InChI=1S/C20H19F3N2O4S/c1-28-11-8-25(9-11)19(27)16-13-6-7-29-10-15(13)30-18(16)24-17(26)12-4-2-3-5-14(12)20(21,22)23/h2-5,11H,6-10H2,1H3,(H,24,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-CP55,940 from human CB1 receptor after 60 mins by microscintillation counting analysis				Bioorg Med Chem Lett 22: 7314-21 (2012) Article DOI: 10.1016/j.bmcl.2012.10.087 BindingDB Entry DOI: 10.7270/Q2QR4Z9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50402858 (CHEMBL2205592) Show SMILES FC(F)(F)Oc1ccccc1C(=O)Nc1sc2COCCc2c1C(=O)N1CC(F)(F)C1 Show InChI InChI=1S/C19H15F5N2O4S/c20-18(21)8-26(9-18)17(28)14-11-5-6-29-7-13(11)31-16(14)25-15(27)10-3-1-2-4-12(10)30-19(22,23)24/h1-4H,5-9H2,(H,25,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-CP55,940 from human CB1 receptor after 60 mins by microscintillation counting analysis				Bioorg Med Chem Lett 22: 7314-21 (2012) Article DOI: 10.1016/j.bmcl.2012.10.087 BindingDB Entry DOI: 10.7270/Q2QR4Z9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50402858 (CHEMBL2205592) Show SMILES FC(F)(F)Oc1ccccc1C(=O)Nc1sc2COCCc2c1C(=O)N1CC(F)(F)C1 Show InChI InChI=1S/C19H15F5N2O4S/c20-18(21)8-26(9-18)17(28)14-11-5-6-29-7-13(11)31-16(14)25-15(27)10-3-1-2-4-12(10)30-19(22,23)24/h1-4H,5-9H2,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-CP55,940 from rat CB1 receptor after 60 mins by microscintillation counting analysis				Bioorg Med Chem Lett 22: 7314-21 (2012) Article DOI: 10.1016/j.bmcl.2012.10.087 BindingDB Entry DOI: 10.7270/Q2QR4Z9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50402859 (CHEMBL2205591) Show SMILES FC(F)(F)c1ccccc1C(=O)Nc1sc2COCCc2c1C(=O)N1CC(F)(F)C1 Show InChI InChI=1S/C19H15F5N2O3S/c20-18(21)8-26(9-18)17(28)14-11-5-6-29-7-13(11)30-16(14)25-15(27)10-3-1-2-4-12(10)19(22,23)24/h1-4H,5-9H2,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-CP55,940 from rat CB1 receptor after 60 mins by microscintillation counting analysis				Bioorg Med Chem Lett 22: 7314-21 (2012) Article DOI: 10.1016/j.bmcl.2012.10.087 BindingDB Entry DOI: 10.7270/Q2QR4Z9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50402862 (CHEMBL2205620) Show SMILES COCCNC(=O)c1c(NC(=O)c2ccccc2C(F)(F)F)sc2COCCc12 Show InChI InChI=1S/C19H19F3N2O4S/c1-27-9-7-23-17(26)15-12-6-8-28-10-14(12)29-18(15)24-16(25)11-4-2-3-5-13(11)19(20,21)22/h2-5H,6-10H2,1H3,(H,23,26)(H,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-CP55,940 from human CB1 receptor after 60 mins by microscintillation counting analysis				Bioorg Med Chem Lett 22: 7314-21 (2012) Article DOI: 10.1016/j.bmcl.2012.10.087 BindingDB Entry DOI: 10.7270/Q2QR4Z9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50402861 (CHEMBL2205584) Show SMILES COCCNC(=O)c1c(NC(=O)c2c(F)cccc2C(F)(F)F)sc2COCCc12 Show InChI InChI=1S/C19H18F4N2O4S/c1-28-8-6-24-16(26)14-10-5-7-29-9-13(10)30-18(14)25-17(27)15-11(19(21,22)23)3-2-4-12(15)20/h2-4H,5-9H2,1H3,(H,24,26)(H,25,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-CP55,940 from human CB1 receptor after 60 mins by microscintillation counting analysis				Bioorg Med Chem Lett 22: 7314-21 (2012) Article DOI: 10.1016/j.bmcl.2012.10.087 BindingDB Entry DOI: 10.7270/Q2QR4Z9V
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50402862 (CHEMBL2205620) Show SMILES COCCNC(=O)c1c(NC(=O)c2ccccc2C(F)(F)F)sc2COCCc12 Show InChI InChI=1S/C19H19F3N2O4S/c1-27-9-7-23-17(26)15-12-6-8-28-10-14(12)29-18(15)24-16(25)11-4-2-3-5-13(11)19(20,21)22/h2-5H,6-10H2,1H3,(H,23,26)(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-CP55,940 from rat CB1 receptor after 60 mins by microscintillation counting analysis				Bioorg Med Chem Lett 22: 7314-21 (2012) Article DOI: 10.1016/j.bmcl.2012.10.087 BindingDB Entry DOI: 10.7270/Q2QR4Z9V
					More data for this Ligand-Target Pair

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