Compile Data Set for Download or QSAR

Found 415 hits with Last Name = 'singh' and Initial = 'u'   

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
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
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
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
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))	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
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
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
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
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
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
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
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)
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))	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
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))	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
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50380745 (CHEMBL2017844) Show SMILES OC(=O)c1onc(c1C(O)=O)-c1ccc(CC(C(=O)c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C26H19NO6/c28-23(19-9-5-2-6-10-19)20(17-7-3-1-4-8-17)15-16-11-13-18(14-12-16)22-21(25(29)30)24(26(31)32)33-27-22/h1-14,20H,15H2,(H,29,30)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.00E+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
Tyrosine-protein phosphatase non-receptor type 2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.64E+5	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 TCPTP				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
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143373 (US9682953, 20.A-10 | US9682953, 20.A-9) Show SMILES Nc1ncc(cn1)C(=O)NC1CCC(CC1)=Cc1cccc(Oc2ccc(cn2)C(F)(F)F)c1 |(11.34,2.69,;10,1.93,;10,.38,;8.67,-.38,;7.34,.38,;7.34,1.93,;8.67,2.69,;6,-.38,;6,-1.93,;4.67,.38,;3.33,-.38,;3.33,-1.93,;2,-2.69,;.67,-1.93,;.67,-.38,;2,.38,;-.67,-2.69,;-2,-1.93,;-2,-.38,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-6,-2.69,;-7.34,-1.93,;-7.34,-.38,;-8.67,.38,;-10,-.38,;-10,-1.93,;-8.67,-2.69,;-11.34,.38,;-12.67,-.39,;-11.34,1.93,;-11.34,-1.16,;-3.33,-2.69,)| Show InChI InChI=1S/C24H22F3N5O2/c25-24(26,27)18-6-9-21(29-14-18)34-20-3-1-2-16(11-20)10-15-4-7-19(8-5-15)32-22(33)17-12-30-23(28)31-13-17/h1-3,6,9-14,19H,4-5,7-8H2,(H,32,33)(H2,28,30,31)/b15-10-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.4	25
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description All reagents were purchased from Sigma-Aldrich unless specified. Human and Rat Fatty Acid Amide Hydrolase (FAAH) genes used in assay have been descri...				US Patent US9682953 (2017) BindingDB Entry DOI: 10.7270/Q2BR8QBH
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143358 (US9682953, 20.A-2) Show SMILES CC(C)c1c2C(N(C(=O)c2nn1CC(=O)NC1CCNCC1)c1cc(Cl)ccc1C)c1ccc(Cl)cc1C Show InChI InChI=1S/C25H22F3N3O2/c26-25(27,28)20-8-11-23(30-16-20)33-22-5-1-3-18(14-22)13-17-6-9-21(10-7-17)31-24(32)19-4-2-12-29-15-19/h1-5,8,11-16,21H,6-7,9-10H2,(H,31,32)/b17-13-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	7.4	25
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description All reagents were purchased from Sigma-Aldrich unless specified. Human and Rat Fatty Acid Amide Hydrolase (FAAH) genes used in assay have been descri...				US Patent US9682953 (2017) BindingDB Entry DOI: 10.7270/Q2BR8QBH
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143449 (US9682953, 20.A-19 | US9682953, 20.A-20) Show SMILES FC(F)(F)c1ccc(Oc2cccc(C=C3CCC(CC3)NC(=O)c3cncnc3)c2)nc1 |(-12.67,-.39,;-11.34,.38,;-11.34,1.93,;-11.34,-1.16,;-10,-.38,;-8.67,.38,;-7.34,-.38,;-7.34,-1.93,;-6,-2.69,;-4.67,-1.93,;-4.67,-.38,;-3.33,.38,;-2,-.38,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;2,-2.69,;3.33,-1.93,;3.33,-.38,;2,.38,;.67,-.38,;4.67,.38,;6,-.38,;6,-1.93,;7.34,.38,;8.67,-.38,;10,.38,;10,1.93,;8.67,2.69,;7.34,1.93,;-3.33,-2.69,;-8.67,-2.69,;-10,-1.93,)| Show InChI InChI=1S/C24H21F3N4O2/c25-24(26,27)19-6-9-22(30-14-19)33-21-3-1-2-17(11-21)10-16-4-7-20(8-5-16)31-23(32)18-12-28-15-29-13-18/h1-3,6,9-15,20H,4-5,7-8H2,(H,31,32)/b16-10-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.4	25
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description All reagents were purchased from Sigma-Aldrich unless specified. Human and Rat Fatty Acid Amide Hydrolase (FAAH) genes used in assay have been descri...				US Patent US9682953 (2017) BindingDB Entry DOI: 10.7270/Q2BR8QBH
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143291 (US9682953, 2.E-27) Show SMILES Cc1nc(Oc2cccc(C=C3CCC(CC3)NC(=O)c3cnc(N)nc3)c2)ccc1Cl |(-11.06,-6.22,;-9.72,-5.45,;-8.39,-6.22,;-7.06,-5.45,;-5.72,-6.22,;-4.39,-5.45,;-4.39,-3.91,;-3.06,-3.14,;-1.72,-3.91,;-1.72,-5.45,;-.39,-6.22,;.94,-5.45,;2.28,-6.22,;3.61,-5.45,;3.61,-3.91,;2.28,-3.14,;.94,-3.91,;4.95,-3.14,;6.28,-3.91,;6.28,-5.45,;7.61,-3.14,;8.95,-3.91,;10.28,-3.14,;10.28,-1.6,;11.61,-.83,;8.95,-.83,;7.61,-1.6,;-3.06,-6.22,;-7.06,-3.91,;-8.39,-3.14,;-9.72,-3.91,;-11.06,-3.14,)| Show InChI InChI=1S/C24H24ClN5O2/c1-15-21(25)9-10-22(29-15)32-20-4-2-3-17(12-20)11-16-5-7-19(8-6-16)30-23(31)18-13-27-24(26)28-14-18/h2-4,9-14,19H,5-8H2,1H3,(H,30,31)(H2,26,27,28)/b16-11-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description All reagents were purchased from Sigma-Aldrich unless specified. Human and Rat Fatty Acid Amide Hydrolase (FAAH) genes used in assay have been descri...				US Patent US9682953 (2017) BindingDB Entry DOI: 10.7270/Q2BR8QBH
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143361 (US9682953, 20.A-4) Show SMILES Nc1ccc(cn1)C(=O)NC1CCC(CC1)=Cc1cccc(Oc2ccc(cn2)C(F)(F)F)c1 |(11.34,2.69,;10,1.93,;10,.38,;8.67,-.38,;7.34,.38,;7.34,1.93,;8.67,2.69,;6,-.38,;6,-1.93,;4.67,.38,;3.33,-.38,;3.33,-1.93,;2,-2.69,;.67,-1.93,;.67,-.38,;2,.38,;-.67,-2.69,;-2,-1.93,;-2,-.38,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-6,-2.69,;-7.34,-1.93,;-7.34,-.38,;-8.67,.38,;-10,-.38,;-10,-1.93,;-8.67,-2.69,;-11.34,.38,;-12.67,-.39,;-11.34,1.93,;-11.34,-1.16,;-3.33,-2.69,)| Show InChI InChI=1S/C25H23F3N4O2/c26-25(27,28)19-7-11-23(31-15-19)34-21-3-1-2-17(13-21)12-16-4-8-20(9-5-16)32-24(33)18-6-10-22(29)30-14-18/h1-3,6-7,10-15,20H,4-5,8-9H2,(H2,29,30)(H,32,33)/b16-12-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description All reagents were purchased from Sigma-Aldrich unless specified. Human and Rat Fatty Acid Amide Hydrolase (FAAH) genes used in assay have been descri...				US Patent US9682953 (2017) BindingDB Entry DOI: 10.7270/Q2BR8QBH
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143366 (US9682953, 20.A-6) Show SMILES Cc1cc(cnc1N)C(=O)NC1CCC(CC1)=Cc1cccc(Oc2ccc(cn2)C(F)(F)F)c1 |(11.34,-.38,;10,.38,;8.67,-.38,;7.34,.38,;7.34,1.93,;8.67,2.69,;10,1.93,;11.34,2.69,;6,-.38,;6,-1.93,;4.67,.38,;3.33,-.38,;3.33,-1.93,;2,-2.69,;.67,-1.93,;.67,-.38,;2,.38,;-.67,-2.69,;-2,-1.93,;-2,-.38,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-6,-2.69,;-7.34,-1.93,;-7.34,-.38,;-8.67,.38,;-10,-.38,;-10,-1.93,;-8.67,-2.69,;-11.34,.38,;-12.67,-.39,;-11.34,1.93,;-11.34,-1.16,;-3.33,-2.69,)| Show InChI InChI=1S/C26H25F3N4O2/c1-16-11-19(14-32-24(16)30)25(34)33-21-8-5-17(6-9-21)12-18-3-2-4-22(13-18)35-23-10-7-20(15-31-23)26(27,28)29/h2-4,7,10-15,21H,5-6,8-9H2,1H3,(H2,30,32)(H,33,34)/b17-12-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description All reagents were purchased from Sigma-Aldrich unless specified. Human and Rat Fatty Acid Amide Hydrolase (FAAH) genes used in assay have been descri...				US Patent US9682953 (2017) BindingDB Entry DOI: 10.7270/Q2BR8QBH
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143368 (US9682953, 20.A-8) Show SMILES FC(F)(F)c1n[nH]cc1C(=O)NC1CCC(CC1)=Cc1cccc(Oc2ccc(cn2)C(F)(F)F)c1 |(4.89,2.47,;6.35,2.95,;6.67,4.45,;6.03,1.44,;7.5,1.92,;9,2.24,;9.77,.9,;8.74,-.24,;7.34,.38,;6,-.38,;6,-1.93,;4.67,.38,;3.33,-.38,;3.33,-1.93,;2,-2.69,;.67,-1.93,;.67,-.38,;2,.38,;-.67,-2.69,;-2,-1.93,;-2,-.38,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-6,-2.69,;-7.34,-1.93,;-7.34,-.38,;-8.67,.38,;-10,-.38,;-10,-1.93,;-8.67,-2.69,;-11.34,.38,;-12.67,-.39,;-11.34,1.93,;-11.34,-1.16,;-3.33,-2.69,)| Show InChI InChI=1S/C24H20F6N4O2/c25-23(26,27)16-6-9-20(31-12-16)36-18-3-1-2-15(11-18)10-14-4-7-17(8-5-14)33-22(35)19-13-32-34-21(19)24(28,29)30/h1-3,6,9-13,17H,4-5,7-8H2,(H,32,34)(H,33,35)/b14-10-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description All reagents were purchased from Sigma-Aldrich unless specified. Human and Rat Fatty Acid Amide Hydrolase (FAAH) genes used in assay have been descri...				US Patent US9682953 (2017) BindingDB Entry DOI: 10.7270/Q2BR8QBH
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143391 (US9682953, 20.A-14) Show SMILES FC(F)(F)c1ccc(Oc2cccc(C=C3CCC(CC3)NC(=O)c3cnc4[nH]ccc4c3)c2)nc1 |(-12.67,-.39,;-11.34,.38,;-11.34,1.93,;-11.34,-1.16,;-10,-.38,;-8.67,.38,;-7.34,-.38,;-7.34,-1.92,;-6,-2.69,;-4.67,-1.92,;-4.67,-.38,;-3.33,.38,;-2,-.38,;-2,-1.92,;-.67,-2.69,;.67,-1.92,;2,-2.69,;3.33,-1.92,;3.33,-.38,;2,.38,;.67,-.38,;4.67,.38,;6,-.38,;6,-1.92,;7.34,.38,;8.67,-.38,;10,.38,;10,1.93,;11.15,2.96,;10.52,4.36,;8.99,4.2,;8.67,2.7,;7.34,1.93,;-3.33,-2.69,;-8.67,-2.69,;-10,-1.92,)| Show InChI InChI=1S/C27H23F3N4O2/c28-27(29,30)21-6-9-24(32-16-21)36-23-3-1-2-18(13-23)12-17-4-7-22(8-5-17)34-26(35)20-14-19-10-11-31-25(19)33-15-20/h1-3,6,9-16,22H,4-5,7-8H2,(H,31,33)(H,34,35)/b17-12-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description All reagents were purchased from Sigma-Aldrich unless specified. Human and Rat Fatty Acid Amide Hydrolase (FAAH) genes used in assay have been descri...				US Patent US9682953 (2017) BindingDB Entry DOI: 10.7270/Q2BR8QBH
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143352 (US9682953, 10.1) Show SMILES CC(C)(C)OC(=O)n1nnnc1CCl Show InChI InChI=1S/C25H22ClF3N4O2/c26-23-21(30)12-17(13-32-23)24(34)33-19-7-4-15(5-8-19)10-16-2-1-3-20(11-16)35-22-9-6-18(14-31-22)25(27,28)29/h1-3,6,9-14,19H,4-5,7-8,30H2,(H,33,34)/b15-10-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description All reagents were purchased from Sigma-Aldrich unless specified. Human and Rat Fatty Acid Amide Hydrolase (FAAH) genes used in assay have been descri...				US Patent US9682953 (2017) BindingDB Entry DOI: 10.7270/Q2BR8QBH
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143274 (US9682953, 2.C-6) Show SMILES Nc1ncc(cn1)C(=O)NC1CCC(CC1)=Cc1cccc(Oc2ccc(cn2)C(F)(F)F)c1 |(11.61,-.83,;10.28,-1.6,;10.28,-3.14,;8.95,-3.91,;7.61,-3.14,;7.61,-1.6,;8.95,-.83,;6.28,-3.91,;6.28,-5.45,;4.95,-3.14,;3.61,-3.91,;3.61,-5.45,;2.28,-6.22,;.94,-5.45,;.94,-3.91,;2.28,-3.14,;-.39,-6.22,;-1.72,-5.45,;-1.72,-3.91,;-3.06,-3.14,;-4.39,-3.91,;-4.39,-5.45,;-5.72,-6.22,;-7.06,-5.45,;-7.06,-3.91,;-8.39,-3.14,;-9.72,-3.91,;-9.72,-5.45,;-8.39,-6.22,;-11.06,-3.14,;-12.39,-3.91,;-11.06,-1.6,;-11.06,-4.68,;-3.06,-6.22,)| Show InChI InChI=1S/C24H22F3N5O2/c25-24(26,27)18-6-9-21(29-14-18)34-20-3-1-2-16(11-20)10-15-4-7-19(8-5-15)32-22(33)17-12-30-23(28)31-13-17/h1-3,6,9-14,19H,4-5,7-8H2,(H,32,33)(H2,28,30,31)/b15-10-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description All reagents were purchased from Sigma-Aldrich unless specified. Human and Rat Fatty Acid Amide Hydrolase (FAAH) genes used in assay have been descri...				US Patent US9682953 (2017) BindingDB Entry DOI: 10.7270/Q2BR8QBH
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of src kinase				J Med Chem 39: 2664-71 (1996) Article DOI: 10.1021/jm950588y BindingDB Entry DOI: 10.7270/Q25H7FBV
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50250824 (CHEMBL4101278) Show SMILES Nc1nccc(n1)-c1c[nH]c2ncc(cc12)-c1ccsc1 Show InChI InChI=1S/C15H11N5S/c16-15-17-3-1-13(20-15)12-7-19-14-11(12)5-10(6-18-14)9-2-4-21-8-9/h1-8H,(H,18,19)(H2,16,17,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin A (unknown origin) using histone H1 as substrate after 30 mins in presence of [33P]-gamma-ATP				J Med Chem 60: 9470-9489 (2017) Article DOI: 10.1021/acs.jmedchem.7b00663 BindingDB Entry DOI: 10.7270/Q2WH2SDH
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143456 (US9682953, 20.A-21 | US9682953, 20.A-22) Show SMILES Cc1nc(Oc2cccc(C=C3CCC(CC3)NC(=O)c3cnc(N)nc3)c2)ccc1Cl |(-11.34,-2.7,;-10,-1.93,;-8.67,-2.69,;-7.34,-1.93,;-6,-2.69,;-4.67,-1.93,;-4.67,-.38,;-3.33,.38,;-2,-.38,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;2,-2.69,;3.33,-1.93,;3.33,-.38,;2,.38,;.67,-.38,;4.67,.38,;6,-.38,;6,-1.93,;7.34,.38,;8.67,-.38,;10,.38,;10,1.93,;11.34,2.69,;8.67,2.69,;7.34,1.93,;-3.33,-2.69,;-7.34,-.38,;-8.67,.38,;-10,-.38,;-11.34,.38,)| Show InChI InChI=1S/C24H24ClN5O2/c1-15-21(25)9-10-22(29-15)32-20-4-2-3-17(12-20)11-16-5-7-19(8-6-16)30-23(31)18-13-27-24(26)28-14-18/h2-4,9-14,19H,5-8H2,1H3,(H,30,31)(H2,26,27,28)/b16-11-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.4	25
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description All reagents were purchased from Sigma-Aldrich unless specified. Human and Rat Fatty Acid Amide Hydrolase (FAAH) genes used in assay have been descri...				US Patent US9682953 (2017) BindingDB Entry DOI: 10.7270/Q2BR8QBH
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143375 (US9682953, 20.A-11 | US9682953, 20.A-12) Show SMILES FC(F)(F)c1ccc(Oc2cccc(C=C3CCC(CC3)NC(=O)c3cn[nH]c3)c2)nc1 |(-12.67,-.39,;-11.34,.38,;-11.34,1.93,;-11.34,-1.16,;-10,-.38,;-8.67,.38,;-7.34,-.38,;-7.34,-1.93,;-6,-2.69,;-4.67,-1.93,;-4.67,-.38,;-3.33,.38,;-2,-.38,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;2,-2.69,;3.33,-1.93,;3.33,-.38,;2,.38,;.67,-.38,;4.67,.38,;6,-.38,;6,-1.93,;7.34,.39,;7.5,1.92,;9,2.24,;9.77,.9,;8.74,-.24,;-3.33,-2.69,;-8.67,-2.69,;-10,-1.93,)| Show InChI InChI=1S/C23H21F3N4O2/c24-23(25,26)18-6-9-21(27-14-18)32-20-3-1-2-16(11-20)10-15-4-7-19(8-5-15)30-22(31)17-12-28-29-13-17/h1-3,6,9-14,19H,4-5,7-8H2,(H,28,29)(H,30,31)/b15-10-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	7.4	25
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description All reagents were purchased from Sigma-Aldrich unless specified. Human and Rat Fatty Acid Amide Hydrolase (FAAH) genes used in assay have been descri...				US Patent US9682953 (2017) BindingDB Entry DOI: 10.7270/Q2BR8QBH
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143284 (US9682953, 2.E-22) Show SMILES Cc1nc(Oc2cccc(C=C3CCC(CC3)NC(=O)c3cnc(N)nc3)c2)ccc1C(F)(F)F |(-11.06,-6.22,;-9.72,-5.45,;-8.39,-6.22,;-7.06,-5.45,;-5.72,-6.22,;-4.39,-5.45,;-4.39,-3.91,;-3.06,-3.14,;-1.72,-3.91,;-1.72,-5.45,;-.39,-6.22,;.94,-5.45,;2.28,-6.22,;3.61,-5.45,;3.61,-3.91,;2.28,-3.14,;.94,-3.91,;4.95,-3.14,;6.28,-3.91,;6.28,-5.45,;7.61,-3.14,;8.95,-3.91,;10.28,-3.14,;10.28,-1.6,;11.61,-.83,;8.95,-.83,;7.61,-1.6,;-3.06,-6.22,;-7.06,-3.91,;-8.39,-3.14,;-9.72,-3.91,;-11.06,-3.14,;-12.39,-3.91,;-11.06,-1.6,;-11.06,-4.68,)| Show InChI InChI=1S/C25H24F3N5O2/c1-15-21(25(26,27)28)9-10-22(32-15)35-20-4-2-3-17(12-20)11-16-5-7-19(8-6-16)33-23(34)18-13-30-24(29)31-14-18/h2-4,9-14,19H,5-8H2,1H3,(H,33,34)(H2,29,30,31)/b16-11-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	25
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description All reagents were purchased from Sigma-Aldrich unless specified. Human and Rat Fatty Acid Amide Hydrolase (FAAH) genes used in assay have been descri...				US Patent US9682953 (2017) BindingDB Entry DOI: 10.7270/Q2BR8QBH
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143117 (US9682953, 2.1) Show SMILES CN(CCCO)c1ccc(NC(=O)c2cn(C)c3c(CN4CC5N(N(CC=C)CC(=O)N5[C@@H](Cc5ccc(O)cc5)C4=O)C(=O)NCc4ccccc4)cccc23)cn1 |r| Show InChI InChI=1S/C25H22F3N3O2/c26-25(27,28)20-8-11-23(30-16-20)33-22-5-1-3-18(14-22)13-17-6-9-21(10-7-17)31-24(32)19-4-2-12-29-15-19/h1-5,8,11-16,21H,6-7,9-10H2,(H,31,32)/b17-13-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	25
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description All reagents were purchased from Sigma-Aldrich unless specified. Human and Rat Fatty Acid Amide Hydrolase (FAAH) genes used in assay have been descri...				US Patent US9682953 (2017) BindingDB Entry DOI: 10.7270/Q2BR8QBH
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143277 (US9682953, 2.D-5) Show SMILES FC(F)(F)c1ccc(Oc2cccc(C=C3CCC(CC3)NC(=O)c3cnc4[nH]ccc4c3)c2)nc1 |(-12.39,-3.91,;-11.06,-3.14,;-11.06,-1.6,;-11.06,-4.68,;-9.72,-3.91,;-8.39,-3.14,;-7.06,-3.91,;-7.06,-5.45,;-5.72,-6.22,;-4.39,-5.45,;-4.39,-3.91,;-3.06,-3.14,;-1.72,-3.91,;-1.72,-5.45,;-.39,-6.22,;.94,-5.45,;2.28,-6.22,;3.61,-5.45,;3.61,-3.91,;2.28,-3.14,;.94,-3.91,;4.95,-3.14,;6.28,-3.91,;6.28,-5.45,;7.61,-3.14,;8.95,-3.91,;10.28,-3.14,;10.28,-1.6,;11.42,-.57,;10.8,.84,;9.27,.68,;8.95,-.83,;7.61,-1.6,;-3.06,-6.22,;-8.39,-6.22,;-9.72,-5.45,)| Show InChI InChI=1S/C27H23F3N4O2/c28-27(29,30)21-6-9-24(32-16-21)36-23-3-1-2-18(13-23)12-17-4-7-22(8-5-17)34-26(35)20-14-19-10-11-31-25(19)33-15-20/h1-3,6,9-16,22H,4-5,7-8H2,(H,31,33)(H,34,35)/b17-12-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	25
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description All reagents were purchased from Sigma-Aldrich unless specified. Human and Rat Fatty Acid Amide Hydrolase (FAAH) genes used in assay have been descri...				US Patent US9682953 (2017) BindingDB Entry DOI: 10.7270/Q2BR8QBH
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143166 (US9682953, 2.A-9) Show SMILES FC(F)(F)c1ccc(Oc2cccc(C=C3CCC(CC3)NC(=O)c3cn[nH]c3)c2)nc1 |(-12.39,-3.91,;-11.06,-3.14,;-11.06,-1.6,;-11.06,-4.68,;-9.72,-3.91,;-8.39,-3.14,;-7.06,-3.91,;-7.06,-5.45,;-5.72,-6.22,;-4.39,-5.45,;-4.39,-3.91,;-3.06,-3.14,;-1.72,-3.91,;-1.72,-5.45,;-.39,-6.22,;.94,-5.45,;2.28,-6.22,;3.61,-5.45,;3.61,-3.91,;2.28,-3.14,;.94,-3.91,;4.95,-3.14,;6.28,-3.91,;6.28,-5.45,;7.61,-3.14,;7.77,-1.61,;9.28,-1.29,;10.05,-2.62,;9.02,-3.76,;-3.06,-6.22,;-8.39,-6.22,;-9.72,-5.45,)| Show InChI InChI=1S/C23H21F3N4O2/c24-23(25,26)18-6-9-21(27-14-18)32-20-3-1-2-16(11-20)10-15-4-7-19(8-5-15)30-22(31)17-12-28-29-13-17/h1-3,6,9-14,19H,4-5,7-8H2,(H,28,29)(H,30,31)/b15-10-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	25
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description All reagents were purchased from Sigma-Aldrich unless specified. Human and Rat Fatty Acid Amide Hydrolase (FAAH) genes used in assay have been descri...				US Patent US9682953 (2017) BindingDB Entry DOI: 10.7270/Q2BR8QBH
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143257 (US9682953, 2.B-4) Show SMILES FC(F)(F)c1ccc(Oc2cccc(C=C3CCC(CC3)NC(=O)c3ccc(nc3)-c3cc[nH]n3)c2)nc1 |(-12.39,-3.91,;-11.06,-3.14,;-11.06,-1.6,;-11.06,-4.68,;-9.72,-3.91,;-8.39,-3.14,;-7.06,-3.91,;-7.06,-5.45,;-5.72,-6.22,;-4.39,-5.45,;-4.39,-3.91,;-3.06,-3.14,;-1.72,-3.91,;-1.72,-5.45,;-.39,-6.22,;.94,-5.45,;2.28,-6.22,;3.61,-5.45,;3.61,-3.91,;2.28,-3.14,;.94,-3.91,;4.95,-3.14,;6.28,-3.91,;6.28,-5.45,;7.61,-3.14,;7.61,-1.6,;8.95,-.83,;10.28,-1.6,;10.28,-3.14,;8.95,-3.91,;11.61,-.83,;13.02,-1.45,;14.05,-.31,;13.28,1.02,;11.77,.7,;-3.06,-6.22,;-8.39,-6.22,;-9.72,-5.45,)| Show InChI InChI=1S/C28H24F3N5O2/c29-28(30,31)21-7-11-26(33-17-21)38-23-3-1-2-19(15-23)14-18-4-8-22(9-5-18)35-27(37)20-6-10-24(32-16-20)25-12-13-34-36-25/h1-3,6-7,10-17,22H,4-5,8-9H2,(H,34,36)(H,35,37)/b18-14-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	25
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description All reagents were purchased from Sigma-Aldrich unless specified. Human and Rat Fatty Acid Amide Hydrolase (FAAH) genes used in assay have been descri...				US Patent US9682953 (2017) BindingDB Entry DOI: 10.7270/Q2BR8QBH
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143258 (US9682953, 2.B-5) Show SMILES FC(F)(F)c1ccc(Oc2cccc(C=C3CCC(CC3)NC(=O)c3ccc(nc3)-c3cn[nH]c3)c2)nc1 |(-12.39,-3.91,;-11.06,-3.14,;-11.06,-1.6,;-11.06,-4.68,;-9.72,-3.91,;-8.39,-3.14,;-7.06,-3.91,;-7.06,-5.45,;-5.72,-6.22,;-4.39,-5.45,;-4.39,-3.91,;-3.06,-3.14,;-1.72,-3.91,;-1.72,-5.45,;-.39,-6.22,;.94,-5.45,;2.28,-6.22,;3.61,-5.45,;3.61,-3.91,;2.28,-3.14,;.94,-3.91,;4.95,-3.14,;6.28,-3.91,;6.28,-5.45,;7.61,-3.14,;7.61,-1.6,;8.95,-.83,;10.28,-1.6,;10.28,-3.14,;8.95,-3.91,;11.61,-.83,;11.77,.7,;13.28,1.02,;14.05,-.31,;13.02,-1.45,;-3.06,-6.22,;-8.39,-6.22,;-9.72,-5.45,)| Show InChI InChI=1S/C28H24F3N5O2/c29-28(30,31)22-7-11-26(33-17-22)38-24-3-1-2-19(13-24)12-18-4-8-23(9-5-18)36-27(37)20-6-10-25(32-14-20)21-15-34-35-16-21/h1-3,6-7,10-17,23H,4-5,8-9H2,(H,34,35)(H,36,37)/b18-12-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	25
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description All reagents were purchased from Sigma-Aldrich unless specified. Human and Rat Fatty Acid Amide Hydrolase (FAAH) genes used in assay have been descri...				US Patent US9682953 (2017) BindingDB Entry DOI: 10.7270/Q2BR8QBH
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143265 (US9682953, 2.B-13) Show SMILES FC(F)(F)c1ccc(Oc2cccc(C=C3CCC(CC3)NC(=O)c3ccc(nc3)-n3cnnc3)c2)nc1 |(-12.39,-3.91,;-11.06,-3.14,;-11.06,-1.6,;-11.06,-4.68,;-9.72,-3.91,;-8.39,-3.14,;-7.06,-3.91,;-7.06,-5.45,;-5.72,-6.22,;-4.39,-5.45,;-4.39,-3.91,;-3.06,-3.14,;-1.72,-3.91,;-1.72,-5.45,;-.39,-6.22,;.94,-5.45,;2.28,-6.22,;3.61,-5.45,;3.61,-3.91,;2.28,-3.14,;.94,-3.91,;4.95,-3.14,;6.28,-3.91,;6.28,-5.45,;7.61,-3.14,;7.61,-1.6,;8.95,-.83,;10.28,-1.6,;10.28,-3.14,;8.95,-3.91,;11.61,-.83,;13.02,-1.45,;14.05,-.31,;13.28,1.02,;11.77,.7,;-3.06,-6.22,;-8.39,-6.22,;-9.72,-5.45,)| Show InChI InChI=1S/C27H23F3N6O2/c28-27(29,30)21-7-11-25(32-15-21)38-23-3-1-2-19(13-23)12-18-4-8-22(9-5-18)35-26(37)20-6-10-24(31-14-20)36-16-33-34-17-36/h1-3,6-7,10-17,22H,4-5,8-9H2,(H,35,37)/b18-12-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	25
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description All reagents were purchased from Sigma-Aldrich unless specified. Human and Rat Fatty Acid Amide Hydrolase (FAAH) genes used in assay have been descri...				US Patent US9682953 (2017) BindingDB Entry DOI: 10.7270/Q2BR8QBH
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143266 (US9682953, 2.B-14) Show SMILES FC(F)(F)c1ccc(Oc2cccc(C=C3CCC(CC3)NC(=O)c3ccc(nc3)-n3ccnn3)c2)nc1 |(-12.39,-3.91,;-11.06,-3.14,;-11.06,-1.6,;-11.06,-4.68,;-9.72,-3.91,;-8.39,-3.14,;-7.06,-3.91,;-7.06,-5.45,;-5.72,-6.22,;-4.39,-5.45,;-4.39,-3.91,;-3.06,-3.14,;-1.72,-3.91,;-1.72,-5.45,;-.39,-6.22,;.94,-5.45,;2.28,-6.22,;3.61,-5.45,;3.61,-3.91,;2.28,-3.14,;.94,-3.91,;4.95,-3.14,;6.28,-3.91,;6.28,-5.45,;7.61,-3.14,;7.61,-1.6,;8.95,-.83,;10.28,-1.6,;10.28,-3.14,;8.95,-3.91,;11.61,-.83,;13.02,-1.45,;14.05,-.31,;13.28,1.02,;11.77,.7,;-3.06,-6.22,;-8.39,-6.22,;-9.72,-5.45,)| Show InChI InChI=1S/C27H23F3N6O2/c28-27(29,30)21-7-11-25(32-17-21)38-23-3-1-2-19(15-23)14-18-4-8-22(9-5-18)34-26(37)20-6-10-24(31-16-20)36-13-12-33-35-36/h1-3,6-7,10-17,22H,4-5,8-9H2,(H,34,37)/b18-14-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	25
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description All reagents were purchased from Sigma-Aldrich unless specified. Human and Rat Fatty Acid Amide Hydrolase (FAAH) genes used in assay have been descri...				US Patent US9682953 (2017) BindingDB Entry DOI: 10.7270/Q2BR8QBH
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143280 (US9682953, 2.E-17) Show SMILES Cc1nc(Oc2cccc(C=C3CCC(CC3)NC(=O)c3ccc(N)nc3)c2)ccc1C(F)(F)F |(-11.06,-6.22,;-9.72,-5.45,;-8.39,-6.22,;-7.06,-5.45,;-5.72,-6.22,;-4.39,-5.45,;-4.39,-3.91,;-3.06,-3.14,;-1.72,-3.91,;-1.72,-5.45,;-.39,-6.22,;.94,-5.45,;2.28,-6.22,;3.61,-5.45,;3.61,-3.91,;2.28,-3.14,;.94,-3.91,;4.95,-3.14,;6.28,-3.91,;6.28,-5.45,;7.61,-3.14,;7.61,-1.6,;8.95,-.83,;10.28,-1.6,;11.61,-.83,;10.28,-3.14,;8.95,-3.91,;-3.06,-6.22,;-7.06,-3.91,;-8.39,-3.14,;-9.72,-3.91,;-11.06,-3.14,;-12.39,-3.91,;-11.06,-1.6,;-11.06,-4.68,)| Show InChI InChI=1S/C26H25F3N4O2/c1-16-22(26(27,28)29)10-12-24(32-16)35-21-4-2-3-18(14-21)13-17-5-8-20(9-6-17)33-25(34)19-7-11-23(30)31-15-19/h2-4,7,10-15,20H,5-6,8-9H2,1H3,(H2,30,31)(H,33,34)/b17-13-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.4	25
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description All reagents were purchased from Sigma-Aldrich unless specified. Human and Rat Fatty Acid Amide Hydrolase (FAAH) genes used in assay have been descri...				US Patent US9682953 (2017) BindingDB Entry DOI: 10.7270/Q2BR8QBH
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143239 (US9682953, 2.A-29) Show SMILES FC(F)(F)c1n[nH]cc1C(=O)NC1CCC(CC1)=Cc1cccc(Oc2ccc(cn2)C(F)(F)F)c1 |(5.16,-1.05,;6.63,-.58,;6.95,.93,;6.31,-2.08,;7.77,-1.61,;9.28,-1.29,;10.05,-2.62,;9.02,-3.76,;7.61,-3.14,;6.28,-3.91,;6.28,-5.45,;4.95,-3.14,;3.61,-3.91,;3.61,-5.45,;2.28,-6.22,;.94,-5.45,;.94,-3.91,;2.28,-3.14,;-.39,-6.22,;-1.72,-5.45,;-1.72,-3.91,;-3.06,-3.14,;-4.39,-3.91,;-4.39,-5.45,;-5.72,-6.22,;-7.06,-5.45,;-7.06,-3.91,;-8.39,-3.14,;-9.72,-3.91,;-9.72,-5.45,;-8.39,-6.22,;-11.06,-3.14,;-12.39,-3.91,;-11.06,-1.6,;-11.06,-4.68,;-3.06,-6.22,)| Show InChI InChI=1S/C24H20F6N4O2/c25-23(26,27)16-6-9-20(31-12-16)36-18-3-1-2-15(11-18)10-14-4-7-17(8-5-14)33-22(35)19-13-32-34-21(19)24(28,29)30/h1-3,6,9-13,17H,4-5,7-8H2,(H,32,34)(H,33,35)/b14-10-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.4	25
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description All reagents were purchased from Sigma-Aldrich unless specified. Human and Rat Fatty Acid Amide Hydrolase (FAAH) genes used in assay have been descri...				US Patent US9682953 (2017) BindingDB Entry DOI: 10.7270/Q2BR8QBH
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143283 (US9682953, 2.E-20) Show SMILES Nc1ccc(cn1)C(=O)NC1CCC(CC1)=Cc1cccc(Oc2ccc(c(Cl)n2)C(F)(F)F)c1 |(11.61,-.83,;10.28,-1.6,;8.95,-.83,;7.61,-1.6,;7.61,-3.14,;8.95,-3.91,;10.28,-3.14,;6.28,-3.91,;6.28,-5.45,;4.95,-3.14,;3.61,-3.91,;3.61,-5.45,;2.28,-6.22,;.94,-5.45,;.94,-3.91,;2.28,-3.14,;-.39,-6.22,;-1.72,-5.45,;-1.72,-3.91,;-3.06,-3.14,;-4.39,-3.91,;-4.39,-5.45,;-5.72,-6.22,;-7.06,-5.45,;-7.06,-3.91,;-8.39,-3.14,;-9.72,-3.91,;-9.72,-5.45,;-11.06,-6.22,;-8.39,-6.22,;-11.06,-3.14,;-12.39,-3.91,;-11.06,-1.6,;-11.06,-4.68,;-3.06,-6.22,)| Show InChI InChI=1S/C25H22ClF3N4O2/c26-23-20(25(27,28)29)9-11-22(33-23)35-19-3-1-2-16(13-19)12-15-4-7-18(8-5-15)32-24(34)17-6-10-21(30)31-14-17/h1-3,6,9-14,18H,4-5,7-8H2,(H2,30,31)(H,32,34)/b15-12-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.4	25
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description All reagents were purchased from Sigma-Aldrich unless specified. Human and Rat Fatty Acid Amide Hydrolase (FAAH) genes used in assay have been descri...				US Patent US9682953 (2017) BindingDB Entry DOI: 10.7270/Q2BR8QBH
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143267 (US9682953, 2.B-15) Show SMILES FC(F)(F)c1ccc(Oc2cccc(C=C3CCC(CC3)NC(=O)c3ccc(nc3)-n3nccn3)c2)nc1 |(-12.39,-3.91,;-11.06,-3.14,;-11.06,-1.6,;-11.06,-4.68,;-9.72,-3.91,;-8.39,-3.14,;-7.06,-3.91,;-7.06,-5.45,;-5.72,-6.22,;-4.39,-5.45,;-4.39,-3.91,;-3.06,-3.14,;-1.72,-3.91,;-1.72,-5.45,;-.39,-6.22,;.94,-5.45,;2.28,-6.22,;3.61,-5.45,;3.61,-3.91,;2.28,-3.14,;.94,-3.91,;4.95,-3.14,;6.28,-3.91,;6.28,-5.45,;7.61,-3.14,;7.61,-1.6,;8.95,-.83,;10.28,-1.6,;10.28,-3.14,;8.95,-3.91,;11.61,-.83,;13.02,-1.45,;14.05,-.31,;13.28,1.02,;11.77,.7,;-3.06,-6.22,;-8.39,-6.22,;-9.72,-5.45,)| Show InChI InChI=1S/C27H23F3N6O2/c28-27(29,30)21-7-11-25(32-17-21)38-23-3-1-2-19(15-23)14-18-4-8-22(9-5-18)35-26(37)20-6-10-24(31-16-20)36-33-12-13-34-36/h1-3,6-7,10-17,22H,4-5,8-9H2,(H,35,37)/b18-14-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.4	25
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description All reagents were purchased from Sigma-Aldrich unless specified. Human and Rat Fatty Acid Amide Hydrolase (FAAH) genes used in assay have been descri...				US Patent US9682953 (2017) BindingDB Entry DOI: 10.7270/Q2BR8QBH
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143293 (US9682953, 4.A-3) Show SMILES Cc1nc(NC(=O)N2CCC[C@@]2(Cc2ccccc2)C(N)=O)sc1-c1ccnc(n1)C(C)(C)C |r| Show InChI InChI=1S/C25H22ClF3N4O2/c26-21-12-17(13-32-23(21)30)24(34)33-19-7-4-15(5-8-19)10-16-2-1-3-20(11-16)35-22-9-6-18(14-31-22)25(27,28)29/h1-3,6,9-14,19H,4-5,7-8H2,(H2,30,32)(H,33,34)/b15-10-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.4	25
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description All reagents were purchased from Sigma-Aldrich unless specified. Human and Rat Fatty Acid Amide Hydrolase (FAAH) genes used in assay have been descri...				US Patent US9682953 (2017) BindingDB Entry DOI: 10.7270/Q2BR8QBH
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143186 (US9682953, 2.A-12) Show SMILES FC(F)(F)c1ccc(Oc2cccc(C=C3CCC(CC3)NC(=O)c3cncnc3)c2)nc1 |(-12.39,-3.91,;-11.06,-3.14,;-11.06,-1.6,;-11.06,-4.68,;-9.72,-3.91,;-8.39,-3.14,;-7.06,-3.91,;-7.06,-5.45,;-5.72,-6.22,;-4.39,-5.45,;-4.39,-3.91,;-3.06,-3.14,;-1.72,-3.91,;-1.72,-5.45,;-.39,-6.22,;.94,-5.45,;2.28,-6.22,;3.61,-5.45,;3.61,-3.91,;2.28,-3.14,;.94,-3.91,;4.95,-3.14,;6.28,-3.91,;6.28,-5.45,;7.61,-3.14,;8.95,-3.91,;10.28,-3.14,;10.28,-1.6,;8.95,-.83,;7.61,-1.6,;-3.06,-6.22,;-8.39,-6.22,;-9.72,-5.45,)| Show InChI InChI=1S/C24H21F3N4O2/c25-24(26,27)19-6-9-22(30-14-19)33-21-3-1-2-17(11-21)10-16-4-7-20(8-5-16)31-23(32)18-12-28-15-29-13-18/h1-3,6,9-15,20H,4-5,7-8H2,(H,31,32)/b16-10-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.4	25
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description All reagents were purchased from Sigma-Aldrich unless specified. Human and Rat Fatty Acid Amide Hydrolase (FAAH) genes used in assay have been descri...				US Patent US9682953 (2017) BindingDB Entry DOI: 10.7270/Q2BR8QBH
					More data for this Ligand-Target Pair

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