Compile Data Set for Download or QSAR

Found 371 hits with Last Name = 'yagi' and Initial = 'm'   

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
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50084621 (BMN 673 | Talazoparib) Show SMILES Cn1ncnc1[C@@H]1[C@H](Nc2cc(F)cc3c2c1n[nH]c3=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C19H14F2N6O/c1-27-18(22-8-23-27)15-16(9-2-4-10(20)5-3-9)24-13-7-11(21)6-12-14(13)17(15)25-26-19(12)28/h2-8,15-16,24H,1H3,(H,26,28)/t15-,16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BioMarin Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of human PARP2 using [3H]NAD as substrate after 1 min by microplate scintillation counting analysis				J Med Chem 59: 335-57 (2016) Article DOI: 10.1021/acs.jmedchem.5b01498 BindingDB Entry DOI: 10.7270/Q2K35WJR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50084621 (BMN 673 | Talazoparib) Show SMILES Cn1ncnc1[C@@H]1[C@H](Nc2cc(F)cc3c2c1n[nH]c3=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C19H14F2N6O/c1-27-18(22-8-23-27)15-16(9-2-4-10(20)5-3-9)24-13-7-11(21)6-12-14(13)17(15)25-26-19(12)28/h2-8,15-16,24H,1H3,(H,26,28)/t15-,16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BioMarin Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of human PARP1 using [3H]NAD as substrate after 1 min by microplate scintillation counting analysis				J Med Chem 59: 335-57 (2016) Article DOI: 10.1021/acs.jmedchem.5b01498 BindingDB Entry DOI: 10.7270/Q2K35WJR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50445769 (CHEMBL3104615) Show SMILES Fc1cccc(F)c1C(=O)N1CCC2(CCCN(C2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 Show InChI InChI=1S/C24H24F5N3O3/c25-18-3-1-4-19(26)20(18)21(33)31-13-10-23(11-14-31)9-2-12-32(15-23)22(34)30-16-5-7-17(8-6-16)35-24(27,28)29/h1,3-8H,2,9-15H2,(H,30,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.125	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...				Bioorg Med Chem Lett 24: 565-70 (2014) Article DOI: 10.1016/j.bmcl.2013.12.020 BindingDB Entry DOI: 10.7270/Q2V69M26
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50441476 (CHEMBL2436575) Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCC3(C2)CCN(CC3)C(=O)c2cccc3ncccc23)cc1 Show InChI InChI=1S/C26H25F3N4O3/c27-26(28,29)36-19-8-6-18(7-9-19)31-24(35)33-16-12-25(17-33)10-14-32(15-11-25)23(34)21-3-1-5-22-20(21)4-2-13-30-22/h1-9,13H,10-12,14-17H2,(H,31,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by ...				Bioorg Med Chem Lett 23: 5975-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.054 BindingDB Entry DOI: 10.7270/Q2TT4SDR
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50441467 (CHEMBL2436573) Show SMILES Oc1ccc(F)c(c1)C(=O)N1CCC2(CCN(C2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 Show InChI InChI=1S/C23H23F4N3O4/c24-19-6-3-16(31)13-18(19)20(32)29-10-7-22(8-11-29)9-12-30(14-22)21(33)28-15-1-4-17(5-2-15)34-23(25,26)27/h1-6,13,31H,7-12,14H2,(H,28,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by ...				Bioorg Med Chem Lett 23: 5975-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.054 BindingDB Entry DOI: 10.7270/Q2TT4SDR
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50441481 (CHEMBL2436579) Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCC3(C2)CCN(CC3)C(=O)c2cnoc2C2CC2)cc1 Show InChI InChI=1S/C23H25F3N4O4/c24-23(25,26)33-17-5-3-16(4-6-17)28-21(32)30-12-9-22(14-30)7-10-29(11-8-22)20(31)18-13-27-34-19(18)15-1-2-15/h3-6,13,15H,1-2,7-12,14H2,(H,28,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by ...				Bioorg Med Chem Lett 23: 5975-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.054 BindingDB Entry DOI: 10.7270/Q2TT4SDR
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50441469 (CHEMBL2436586) Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCC3(C2)CCN(CC3)C(=O)C2(CC2)C(F)(F)F)cc1 Show InChI InChI=1S/C21H23F6N3O3/c22-20(23,24)19(5-6-19)16(31)29-10-7-18(8-11-29)9-12-30(13-18)17(32)28-14-1-3-15(4-2-14)33-21(25,26)27/h1-4H,5-13H2,(H,28,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by ...				Bioorg Med Chem Lett 23: 5975-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.054 BindingDB Entry DOI: 10.7270/Q2TT4SDR
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50441474 (CHEMBL2436563) Show SMILES Fc1cccc(F)c1C(=O)N1CCC2(CCN(C2)C(=O)Nc2ccc(cc2)C(F)(F)F)CC1 Show InChI InChI=1S/C23H22F5N3O2/c24-17-2-1-3-18(25)19(17)20(32)30-11-8-22(9-12-30)10-13-31(14-22)21(33)29-16-6-4-15(5-7-16)23(26,27)28/h1-7H,8-14H2,(H,29,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by ...				Bioorg Med Chem Lett 23: 5975-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.054 BindingDB Entry DOI: 10.7270/Q2TT4SDR
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50441470 (CHEMBL2436574) Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCC3(C2)CCN(CC3)C(=O)c2ccccc2Cl)cc1 Show InChI InChI=1S/C23H23ClF3N3O3/c24-19-4-2-1-3-18(19)20(31)29-12-9-22(10-13-29)11-14-30(15-22)21(32)28-16-5-7-17(8-6-16)33-23(25,26)27/h1-8H,9-15H2,(H,28,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by ...				Bioorg Med Chem Lett 23: 5975-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.054 BindingDB Entry DOI: 10.7270/Q2TT4SDR
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50441483 (CHEMBL2436591) Show SMILES CCC(CC)C(=O)N1CCC2(CCN(C2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 Show InChI InChI=1S/C22H30F3N3O3/c1-3-16(4-2)19(29)27-12-9-21(10-13-27)11-14-28(15-21)20(30)26-17-5-7-18(8-6-17)31-22(23,24)25/h5-8,16H,3-4,9-15H2,1-2H3,(H,26,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by ...				Bioorg Med Chem Lett 23: 5975-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.054 BindingDB Entry DOI: 10.7270/Q2TT4SDR
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50441486 (CHEMBL2436593) Show SMILES Oc1cccc(CCC(=O)N2CCC3(CCN(C3)C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)c1 Show InChI InChI=1S/C25H28F3N3O4/c26-25(27,28)35-21-7-5-19(6-8-21)29-23(34)31-15-12-24(17-31)10-13-30(14-11-24)22(33)9-4-18-2-1-3-20(32)16-18/h1-3,5-8,16,32H,4,9-15,17H2,(H,29,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by ...				Bioorg Med Chem Lett 23: 5975-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.054 BindingDB Entry DOI: 10.7270/Q2TT4SDR
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50441472 (CHEMBL2436578) Show SMILES Cc1cc(no1)C(=O)N1CCC2(CCN(C2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 Show InChI InChI=1S/C21H23F3N4O4/c1-14-12-17(26-32-14)18(29)27-9-6-20(7-10-27)8-11-28(13-20)19(30)25-15-2-4-16(5-3-15)31-21(22,23)24/h2-5,12H,6-11,13H2,1H3,(H,25,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by ...				Bioorg Med Chem Lett 23: 5975-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.054 BindingDB Entry DOI: 10.7270/Q2TT4SDR
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50441482 (CHEMBL2436577) Show SMILES Cc1cnc(cn1)C(=O)N1CCC2(CCN(C2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 Show InChI InChI=1S/C22H24F3N5O3/c1-15-12-27-18(13-26-15)19(31)29-9-6-21(7-10-29)8-11-30(14-21)20(32)28-16-2-4-17(5-3-16)33-22(23,24)25/h2-5,12-13H,6-11,14H2,1H3,(H,28,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by ...				Bioorg Med Chem Lett 23: 5975-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.054 BindingDB Entry DOI: 10.7270/Q2TT4SDR
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50445752 (CHEMBL3104441) Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)C3(CC3)c3ccccc3)C2)cc1 Show InChI InChI=1S/C26H28F3N3O4/c27-26(28,29)36-21-8-6-20(7-9-21)30-23(34)32-16-17-35-24(18-32)12-14-31(15-13-24)22(33)25(10-11-25)19-4-2-1-3-5-19/h1-9H,10-18H2,(H,30,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...				Bioorg Med Chem Lett 24: 565-70 (2014) Article DOI: 10.1016/j.bmcl.2013.12.020 BindingDB Entry DOI: 10.7270/Q2V69M26
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50441468 (CHEMBL2436564) Show SMILES Fc1cccc(F)c1C(=O)N1CCC2(CCN(C2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 Show InChI InChI=1S/C23H22F5N3O3/c24-17-2-1-3-18(25)19(17)20(32)30-11-8-22(9-12-30)10-13-31(14-22)21(33)29-15-4-6-16(7-5-15)34-23(26,27)28/h1-7H,8-14H2,(H,29,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by ...				Bioorg Med Chem Lett 23: 5975-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.054 BindingDB Entry DOI: 10.7270/Q2TT4SDR
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50445751 (CHEMBL3104442) Show SMILES COc1ccccc1CC(=O)N1CCC2(CC1)CN(CCO2)C(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C25H28F3N3O5/c1-34-21-5-3-2-4-18(21)16-22(32)30-12-10-24(11-13-30)17-31(14-15-35-24)23(33)29-19-6-8-20(9-7-19)36-25(26,27)28/h2-9H,10-17H2,1H3,(H,29,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...				Bioorg Med Chem Lett 24: 565-70 (2014) Article DOI: 10.1016/j.bmcl.2013.12.020 BindingDB Entry DOI: 10.7270/Q2V69M26
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50441484 (CHEMBL2436587) Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCC3(C2)CCN(CC3)C(=O)C2CC2(F)F)cc1 Show InChI InChI=1S/C20H22F5N3O3/c21-19(22)11-15(19)16(29)27-8-5-18(6-9-27)7-10-28(12-18)17(30)26-13-1-3-14(4-2-13)31-20(23,24)25/h1-4,15H,5-12H2,(H,26,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by ...				Bioorg Med Chem Lett 23: 5975-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.054 BindingDB Entry DOI: 10.7270/Q2TT4SDR
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50441492 (CHEMBL2436580) Show SMILES Cc1occc1C(=O)N1CCC2(CCN(C2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 Show InChI InChI=1S/C22H24F3N3O4/c1-15-18(6-13-31-15)19(29)27-10-7-21(8-11-27)9-12-28(14-21)20(30)26-16-2-4-17(5-3-16)32-22(23,24)25/h2-6,13H,7-12,14H2,1H3,(H,26,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by ...				Bioorg Med Chem Lett 23: 5975-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.054 BindingDB Entry DOI: 10.7270/Q2TT4SDR
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50084621 (BMN 673 | Talazoparib) Show SMILES Cn1ncnc1[C@@H]1[C@H](Nc2cc(F)cc3c2c1n[nH]c3=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C19H14F2N6O/c1-27-18(22-8-23-27)15-16(9-2-4-10(20)5-3-9)24-13-7-11(21)6-12-14(13)17(15)25-26-19(12)28/h2-8,15-16,24H,1H3,(H,26,28)/t15-,16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
BioMarin Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of human PARP1 using [3H]NAD as substrate after 1 min by microplate scintillation counting analysis				J Med Chem 59: 335-57 (2016) Article DOI: 10.1021/acs.jmedchem.5b01498 BindingDB Entry DOI: 10.7270/Q2K35WJR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50441479 (CHEMBL2436590) Show SMILES CC(C)(C)C(=O)N1CCC2(CCN(C2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 Show InChI InChI=1S/C21H28F3N3O3/c1-19(2,3)17(28)26-11-8-20(9-12-26)10-13-27(14-20)18(29)25-15-4-6-16(7-5-15)30-21(22,23)24/h4-7H,8-14H2,1-3H3,(H,25,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by ...				Bioorg Med Chem Lett 23: 5975-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.054 BindingDB Entry DOI: 10.7270/Q2TT4SDR
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50441475 (CHEMBL2436589) Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCC3(C2)CCN(CC3)C(=O)CC2CC2)cc1 Show InChI InChI=1S/C21H26F3N3O3/c22-21(23,24)30-17-5-3-16(4-6-17)25-19(29)27-12-9-20(14-27)7-10-26(11-8-20)18(28)13-15-1-2-15/h3-6,15H,1-2,7-14H2,(H,25,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by ...				Bioorg Med Chem Lett 23: 5975-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.054 BindingDB Entry DOI: 10.7270/Q2TT4SDR
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50445760 (CHEMBL3104432) Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)c3cnoc3C3CC3)C2)cc1 Show InChI InChI=1S/C23H25F3N4O5/c24-23(25,26)34-17-5-3-16(4-6-17)28-21(32)30-11-12-33-22(14-30)7-9-29(10-8-22)20(31)18-13-27-35-19(18)15-1-2-15/h3-6,13,15H,1-2,7-12,14H2,(H,28,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...				Bioorg Med Chem Lett 24: 565-70 (2014) Article DOI: 10.1016/j.bmcl.2013.12.020 BindingDB Entry DOI: 10.7270/Q2V69M26
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50445753 (CHEMBL3104440) Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)C3CCCCC3)C2)cc1 Show InChI InChI=1S/C23H30F3N3O4/c24-23(25,26)33-19-8-6-18(7-9-19)27-21(31)29-14-15-32-22(16-29)10-12-28(13-11-22)20(30)17-4-2-1-3-5-17/h6-9,17H,1-5,10-16H2,(H,27,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...				Bioorg Med Chem Lett 24: 565-70 (2014) Article DOI: 10.1016/j.bmcl.2013.12.020 BindingDB Entry DOI: 10.7270/Q2V69M26
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50445758 (CHEMBL3104435) Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)c3cc(Cl)ccn3)C2)cc1 Show InChI InChI=1S/C22H22ClF3N4O4/c23-15-5-8-27-18(13-15)19(31)29-9-6-21(7-10-29)14-30(11-12-33-21)20(32)28-16-1-3-17(4-2-16)34-22(24,25)26/h1-5,8,13H,6-7,9-12,14H2,(H,28,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...				Bioorg Med Chem Lett 24: 565-70 (2014) Article DOI: 10.1016/j.bmcl.2013.12.020 BindingDB Entry DOI: 10.7270/Q2V69M26
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50441471 (CHEMBL2436572) Show SMILES Fc1ccccc1C(=O)N1CCC2(CCN(C2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 Show InChI InChI=1S/C23H23F4N3O3/c24-19-4-2-1-3-18(19)20(31)29-12-9-22(10-13-29)11-14-30(15-22)21(32)28-16-5-7-17(8-6-16)33-23(25,26)27/h1-8H,9-15H2,(H,28,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by ...				Bioorg Med Chem Lett 23: 5975-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.054 BindingDB Entry DOI: 10.7270/Q2TT4SDR
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50441478 (CHEMBL2436584) Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCC3(C2)CCN(CC3)C(=O)C2CCCCC2)cc1 Show InChI InChI=1S/C23H30F3N3O3/c24-23(25,26)32-19-8-6-18(7-9-19)27-21(31)29-15-12-22(16-29)10-13-28(14-11-22)20(30)17-4-2-1-3-5-17/h6-9,17H,1-5,10-16H2,(H,27,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by ...				Bioorg Med Chem Lett 23: 5975-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.054 BindingDB Entry DOI: 10.7270/Q2TT4SDR
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50445770 (CHEMBL3104444) Show SMILES Fc1cccc(F)c1C(=O)N1CCC2(CC1)CN(CCO2)C(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C23H22F5N3O4/c24-17-2-1-3-18(25)19(17)20(32)30-10-8-22(9-11-30)14-31(12-13-34-22)21(33)29-15-4-6-16(7-5-15)35-23(26,27)28/h1-7H,8-14H2,(H,29,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...				Bioorg Med Chem Lett 24: 565-70 (2014) Article DOI: 10.1016/j.bmcl.2013.12.020 BindingDB Entry DOI: 10.7270/Q2V69M26
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50445750 (CHEMBL3104443) Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)Cc3ccccn3)C2)cc1 Show InChI InChI=1S/C23H25F3N4O4/c24-23(25,26)34-19-6-4-17(5-7-19)28-21(32)30-13-14-33-22(16-30)8-11-29(12-9-22)20(31)15-18-3-1-2-10-27-18/h1-7,10H,8-9,11-16H2,(H,28,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...				Bioorg Med Chem Lett 24: 565-70 (2014) Article DOI: 10.1016/j.bmcl.2013.12.020 BindingDB Entry DOI: 10.7270/Q2V69M26
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50441487 (CHEMBL2436576) Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCC3(C2)CCN(CC3)C(=O)c2cccc3nc[nH]c23)cc1 Show InChI InChI=1S/C24H24F3N5O3/c25-24(26,27)35-17-6-4-16(5-7-17)30-22(34)32-13-10-23(14-32)8-11-31(12-9-23)21(33)18-2-1-3-19-20(18)29-15-28-19/h1-7,15H,8-14H2,(H,28,29)(H,30,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by ...				Bioorg Med Chem Lett 23: 5975-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.054 BindingDB Entry DOI: 10.7270/Q2TT4SDR
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50441488 (CHEMBL2436592) Show SMILES CCCCC(=O)N1CCC2(CCN(C2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 Show InChI InChI=1S/C21H28F3N3O3/c1-2-3-4-18(28)26-12-9-20(10-13-26)11-14-27(15-20)19(29)25-16-5-7-17(8-6-16)30-21(22,23)24/h5-8H,2-4,9-15H2,1H3,(H,25,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by ...				Bioorg Med Chem Lett 23: 5975-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.054 BindingDB Entry DOI: 10.7270/Q2TT4SDR
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50445763 (CHEMBL3104622) Show SMILES CC(=O)Nc1ccccc1C(=O)N1CCC2(CC1)CN(CCO2)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C25H27F3N4O4/c1-17(33)29-21-5-3-2-4-20(21)22(34)31-12-10-24(11-13-31)16-32(14-15-36-24)23(35)30-19-8-6-18(7-9-19)25(26,27)28/h2-9H,10-16H2,1H3,(H,29,33)(H,30,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...				Bioorg Med Chem Lett 24: 565-70 (2014) Article DOI: 10.1016/j.bmcl.2013.12.020 BindingDB Entry DOI: 10.7270/Q2V69M26
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50445757 (CHEMBL3104436) Show SMILES Cc1cnc(cn1)C(=O)N1CCC2(CC1)CN(CCO2)C(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C22H24F3N5O4/c1-15-12-27-18(13-26-15)19(31)29-8-6-21(7-9-29)14-30(10-11-33-21)20(32)28-16-2-4-17(5-3-16)34-22(23,24)25/h2-5,12-13H,6-11,14H2,1H3,(H,28,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...				Bioorg Med Chem Lett 24: 565-70 (2014) Article DOI: 10.1016/j.bmcl.2013.12.020 BindingDB Entry DOI: 10.7270/Q2V69M26
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50441480 (CHEMBL2436581) Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCC3(C2)CCN(CC3)C(=O)c2ccco2)cc1 Show InChI InChI=1S/C21H22F3N3O4/c22-21(23,24)31-16-5-3-15(4-6-16)25-19(29)27-12-9-20(14-27)7-10-26(11-8-20)18(28)17-2-1-13-30-17/h1-6,13H,7-12,14H2,(H,25,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by ...				Bioorg Med Chem Lett 23: 5975-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.054 BindingDB Entry DOI: 10.7270/Q2TT4SDR
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50445764 (CHEMBL3104621) Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)c3ccc(Cl)cc3)C2)cc1 Show InChI InChI=1S/C23H23ClF3N3O3/c24-18-5-1-16(2-6-18)20(31)29-11-9-22(10-12-29)15-30(13-14-33-22)21(32)28-19-7-3-17(4-8-19)23(25,26)27/h1-8H,9-15H2,(H,28,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...				Bioorg Med Chem Lett 24: 565-70 (2014) Article DOI: 10.1016/j.bmcl.2013.12.020 BindingDB Entry DOI: 10.7270/Q2V69M26
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50145154 (CHEMBL3764920) Show SMILES Fc1ccc(cc1)[C@@H]1[C@H](Nc2cccc3c2c1n[nH]c3=O)c1ccc(CN2CCC2)cc1 |r| Show InChI InChI=1S/C26H23FN4O/c27-19-11-9-17(10-12-19)22-24(18-7-5-16(6-8-18)15-31-13-2-14-31)28-21-4-1-3-20-23(21)25(22)29-30-26(20)32/h1,3-12,22,24,28H,2,13-15H2,(H,30,32)/t22-,24-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
BioMarin Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of human PARP1 using [3H]NAD as substrate after 1 min by microplate scintillation counting analysis				J Med Chem 59: 335-57 (2016) Article DOI: 10.1021/acs.jmedchem.5b01498 BindingDB Entry DOI: 10.7270/Q2K35WJR
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50441461 (CHEMBL2436568) Show SMILES Fc1cccc(F)c1C(=O)N1CCC2(CCN(C2)C(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C23H21ClF5N3O2/c24-16-5-4-14(12-15(16)23(27,28)29)30-21(34)32-11-8-22(13-32)6-9-31(10-7-22)20(33)19-17(25)2-1-3-18(19)26/h1-5,12H,6-11,13H2,(H,30,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by ...				Bioorg Med Chem Lett 23: 5975-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.054 BindingDB Entry DOI: 10.7270/Q2TT4SDR
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50445768 (CHEMBL3102876) Show SMILES Fc1ccccc1C(=O)N1CCC2(CC1)CN(CCO2)C(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C23H23F4N3O4/c24-19-4-2-1-3-18(19)20(31)29-11-9-22(10-12-29)15-30(13-14-33-22)21(32)28-16-5-7-17(8-6-16)34-23(25,26)27/h1-8H,9-15H2,(H,28,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...				Bioorg Med Chem Lett 24: 565-70 (2014) Article DOI: 10.1016/j.bmcl.2013.12.020 BindingDB Entry DOI: 10.7270/Q2V69M26
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50445759 (CHEMBL3104433) Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)c3cn[nH]c3C3CC3)C2)cc1 Show InChI InChI=1S/C23H26F3N5O4/c24-23(25,26)35-17-5-3-16(4-6-17)28-21(33)31-11-12-34-22(14-31)7-9-30(10-8-22)20(32)18-13-27-29-19(18)15-1-2-15/h3-6,13,15H,1-2,7-12,14H2,(H,27,29)(H,28,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...				Bioorg Med Chem Lett 24: 565-70 (2014) Article DOI: 10.1016/j.bmcl.2013.12.020 BindingDB Entry DOI: 10.7270/Q2V69M26
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50441462 (CHEMBL2436585) Show SMILES OC1CCC(CC1)C(=O)N1CCC2(CCN(C2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 |(25.3,-18.66,;24.54,-19.99,;25.31,-21.32,;24.56,-22.65,;23.03,-22.65,;22.23,-21.34,;23,-20,;22.27,-23.99,;23.04,-25.33,;20.73,-23.99,;19.95,-25.31,;18.42,-25.32,;17.65,-23.98,;16.87,-25.31,;15.36,-25,;15.19,-23.47,;16.61,-22.83,;13.86,-22.7,;13.86,-21.15,;12.52,-23.47,;11.19,-22.7,;9.86,-23.47,;8.53,-22.71,;8.53,-21.15,;7.18,-20.39,;7.18,-18.85,;7.17,-17.3,;8.52,-18.07,;5.84,-18.07,;9.86,-20.39,;11.2,-21.15,;18.41,-22.64,;19.96,-22.65,)| Show InChI InChI=1S/C23H30F3N3O4/c24-23(25,26)33-19-7-3-17(4-8-19)27-21(32)29-14-11-22(15-29)9-12-28(13-10-22)20(31)16-1-5-18(30)6-2-16/h3-4,7-8,16,18,30H,1-2,5-6,9-15H2,(H,27,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by ...				Bioorg Med Chem Lett 23: 5975-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.054 BindingDB Entry DOI: 10.7270/Q2TT4SDR
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50445765 (CHEMBL3104620) Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)c3cccc(Cl)c3)C2)cc1 Show InChI InChI=1S/C23H23ClF3N3O3/c24-18-3-1-2-16(14-18)20(31)29-10-8-22(9-11-29)15-30(12-13-33-22)21(32)28-19-6-4-17(5-7-19)23(25,26)27/h1-7,14H,8-13,15H2,(H,28,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...				Bioorg Med Chem Lett 24: 565-70 (2014) Article DOI: 10.1016/j.bmcl.2013.12.020 BindingDB Entry DOI: 10.7270/Q2V69M26
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50445767 (CHEMBL3104617) Show SMILES Fc1cccc(F)c1C(=O)N1CCC2(CC1)CN(CCO2)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C23H22F5N3O3/c24-17-2-1-3-18(25)19(17)20(32)30-10-8-22(9-11-30)14-31(12-13-34-22)21(33)29-16-6-4-15(5-7-16)23(26,27)28/h1-7H,8-14H2,(H,29,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...				Bioorg Med Chem Lett 24: 565-70 (2014) Article DOI: 10.1016/j.bmcl.2013.12.020 BindingDB Entry DOI: 10.7270/Q2V69M26
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50441463 (CHEMBL2436588) Show SMILES CC1CC1C(=O)N1CCC2(CCN(C2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 Show InChI InChI=1S/C21H26F3N3O3/c1-14-12-17(14)18(28)26-9-6-20(7-10-26)8-11-27(13-20)19(29)25-15-2-4-16(5-3-15)30-21(22,23)24/h2-5,14,17H,6-13H2,1H3,(H,25,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by ...				Bioorg Med Chem Lett 23: 5975-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.054 BindingDB Entry DOI: 10.7270/Q2TT4SDR
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50445761 (CHEMBL3104431) Show SMILES Cc1cc(no1)C(=O)N1CCC2(CC1)CN(CCO2)C(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C21H23F3N4O5/c1-14-12-17(26-33-14)18(29)27-8-6-20(7-9-27)13-28(10-11-31-20)19(30)25-15-2-4-16(5-3-15)32-21(22,23)24/h2-5,12H,6-11,13H2,1H3,(H,25,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...				Bioorg Med Chem Lett 24: 565-70 (2014) Article DOI: 10.1016/j.bmcl.2013.12.020 BindingDB Entry DOI: 10.7270/Q2V69M26
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50445766 (CHEMBL3104619) Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)c3ccccc3Cl)C2)cc1 Show InChI InChI=1S/C23H23ClF3N3O3/c24-19-4-2-1-3-18(19)20(31)29-11-9-22(10-12-29)15-30(13-14-33-22)21(32)28-17-7-5-16(6-8-17)23(25,26)27/h1-8H,9-15H2,(H,28,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...				Bioorg Med Chem Lett 24: 565-70 (2014) Article DOI: 10.1016/j.bmcl.2013.12.020 BindingDB Entry DOI: 10.7270/Q2V69M26
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50145152 (CHEMBL3763446) Show SMILES Cn1ncnc1[C@@H]1[C@H](Nc2cccc3c2c1n[nH]c3=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C19H15FN6O/c1-26-18(21-9-22-26)15-16(10-5-7-11(20)8-6-10)23-13-4-2-3-12-14(13)17(15)24-25-19(12)27/h2-9,15-16,23H,1H3,(H,25,27)/t15-,16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
BioMarin Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of human PARP1 using [3H]NAD as substrate after 1 min by microplate scintillation counting analysis				J Med Chem 59: 335-57 (2016) Article DOI: 10.1021/acs.jmedchem.5b01498 BindingDB Entry DOI: 10.7270/Q2K35WJR
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50145151 (CHEMBL3764202) Show SMILES Cn1ccnc1[C@@H]1[C@H](Nc2cc(F)cc3c2c1n[nH]c3=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H15F2N5O/c1-27-7-6-23-19(27)16-17(10-2-4-11(21)5-3-10)24-14-9-12(22)8-13-15(14)18(16)25-26-20(13)28/h2-9,16-17,24H,1H3,(H,26,28)/t16-,17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
BioMarin Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of human PARP1 using [3H]NAD as substrate after 1 min by microplate scintillation counting analysis				J Med Chem 59: 335-57 (2016) Article DOI: 10.1021/acs.jmedchem.5b01498 BindingDB Entry DOI: 10.7270/Q2K35WJR
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50145135 (CHEMBL3764188) Show SMILES Cn1nccc1C1C(Nc2cc(F)cc3c2c1n[nH]c3=O)c1ccc(F)cc1 Show InChI InChI=1S/C20H15F2N5O/c1-27-15(6-7-23-27)17-18(10-2-4-11(21)5-3-10)24-14-9-12(22)8-13-16(14)19(17)25-26-20(13)28/h2-9,17-18,24H,1H3,(H,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
BioMarin Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of human PARP1 using [3H]NAD as substrate after 1 min by microplate scintillation counting analysis				J Med Chem 59: 335-57 (2016) Article DOI: 10.1021/acs.jmedchem.5b01498 BindingDB Entry DOI: 10.7270/Q2K35WJR
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50445756 (CHEMBL3104437) Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)c3ccc4NC(=O)Cc4c3)C2)cc1 Show InChI InChI=1S/C25H25F3N4O5/c26-25(27,28)37-19-4-2-18(3-5-19)29-23(35)32-11-12-36-24(15-32)7-9-31(10-8-24)22(34)16-1-6-20-17(13-16)14-21(33)30-20/h1-6,13H,7-12,14-15H2,(H,29,35)(H,30,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...				Bioorg Med Chem Lett 24: 565-70 (2014) Article DOI: 10.1016/j.bmcl.2013.12.020 BindingDB Entry DOI: 10.7270/Q2V69M26
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27566 (4-({3-[(4-cyclopropanecarbonylpiperazin-1-yl)carbo...) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1 Show InChI InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
BioMarin Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of human PARP1 using [3H]NAD as substrate after 1 min by microplate scintillation counting analysis				J Med Chem 59: 335-57 (2016) Article DOI: 10.1021/acs.jmedchem.5b01498 BindingDB Entry DOI: 10.7270/Q2K35WJR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50145138 (CHEMBL3764085) Show SMILES Cn1ccnc1C1C(Nc2cc(F)cc3c2c1n[nH]c3=O)c1ccc(F)cc1 Show InChI InChI=1S/C20H15F2N5O/c1-27-7-6-23-19(27)16-17(10-2-4-11(21)5-3-10)24-14-9-12(22)8-13-15(14)18(16)25-26-20(13)28/h2-9,16-17,24H,1H3,(H,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
BioMarin Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of human PARP1 using [3H]NAD as substrate after 1 min by microplate scintillation counting analysis				J Med Chem 59: 335-57 (2016) Article DOI: 10.1021/acs.jmedchem.5b01498 BindingDB Entry DOI: 10.7270/Q2K35WJR
					More data for this Ligand-Target Pair

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