Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50044300   

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
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50012011 (CHEMBL3263289) Show SMILES O=C(NCCCCCCNC(=O)NCC12CC3CC(CC(C3)C1)C2)NCC12CC3CC(CC(C3)C1)C2 |TLB:13:14:17:21.20.19,25:26:29:33.32.31,THB:15:16:19:23.14.22,15:14:17.16.21:19,27:28:31:35.26.34,27:26:29.28.33:31,22:14:17:21.20.19,22:20:17:23.15.14,34:26:29:33.32.31,34:32:29:35.27.26| Show InChI InChI=1S/C30H50N4O2/c35-27(33-19-29-13-21-7-22(14-29)9-23(8-21)15-29)31-5-3-1-2-4-6-32-28(36)34-20-30-16-24-10-25(17-30)12-26(11-24)18-30/h21-26H,1-20H2,(H2,31,33,35)(H2,32,34,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Volzhsky Polytechnic Institute (branch) Volgograd State Technical University Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins followed by substrate addition measured at...				Bioorg Med Chem Lett 24: 2193-7 (2014) Article DOI: 10.1016/j.bmcl.2014.03.016 BindingDB Entry DOI: 10.7270/Q2PR7XHZ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50012054 (CHEMBL3263297) Show SMILES CC(NC(=O)NCCCCCCCCNC(=O)NC(C)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 |TLB:18:20:23:26.27.25,29:20:27:23.24.25,33:34:38:31.32.37,THB:29:24:27:20.21.28,35:36:31:39.33.34,35:34:31:38.36.37,33:32:38:39.34.35,28:20:23:26.27.25,28:26:23:20.21.29| Show InChI InChI=1S/C34H58N4O2/c1-23(33-17-25-11-26(18-33)13-27(12-25)19-33)37-31(39)35-9-7-5-3-4-6-8-10-36-32(40)38-24(2)34-20-28-14-29(21-34)16-30(15-28)22-34/h23-30H,3-22H2,1-2H3,(H2,35,37,39)(H2,36,38,40)	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
Volzhsky Polytechnic Institute (branch) Volgograd State Technical University Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins followed by substrate addition measured at...				Bioorg Med Chem Lett 24: 2193-7 (2014) Article DOI: 10.1016/j.bmcl.2014.03.016 BindingDB Entry DOI: 10.7270/Q2PR7XHZ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM129310 (US8815951, 411) Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2 |TLB:23:14:21:17.18.19,13:14:17:21.20.19,2:3:6:10.9.8,12:3:10:6.7.8,THB:23:18:21:14.22.15,22:14:17:21.20.19,22:20:17:14.23.15,12:7:10:3.11.4,11:3:6:10.9.8,11:9:6:3.12.4| Show InChI InChI=1S/C21H32N2O/c24-19(22-20-7-13-1-14(8-20)3-15(2-13)9-20)23-21-10-16-4-17(11-21)6-18(5-16)12-21/h13-18H,1-12H2,(H2,22,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase 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
Volzhsky Polytechnic Institute (branch) Volgograd State Technical University Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins followed by substrate addition measured at...				Bioorg Med Chem Lett 24: 2193-7 (2014) Article DOI: 10.1016/j.bmcl.2014.03.016 BindingDB Entry DOI: 10.7270/Q2PR7XHZ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50012016 (CHEMBL3263294) Show SMILES CC(NC(=O)NCCCCNC(=O)NC(C)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 |TLB:33:32:35:27.29.28,33:28:35:31.32.34,19:20:17.18.23:24,THB:21:20:17:23.22.24,21:22:17:19.20.25,19:18:21.20.25:24,31:30:27:33.32.34,31:32:27:30.35.29| Show InChI InChI=1S/C30H50N4O2/c1-19(29-13-21-7-22(14-29)9-23(8-21)15-29)33-27(35)31-5-3-4-6-32-28(36)34-20(2)30-16-24-10-25(17-30)12-26(11-24)18-30/h19-26H,3-18H2,1-2H3,(H2,31,33,35)(H2,32,34,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Volzhsky Polytechnic Institute (branch) Volgograd State Technical University Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins followed by substrate addition measured at...				Bioorg Med Chem Lett 24: 2193-7 (2014) Article DOI: 10.1016/j.bmcl.2014.03.016 BindingDB Entry DOI: 10.7270/Q2PR7XHZ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50012059 (CHEMBL3263302) Show SMILES O=C(NCCCCCCCCNC(=O)NC1C2CC3CC(C2)CC1C3)NC1C2CC3CC(C2)CC1C3 |TLB:24:23:21:17.19.18,25:26:28:31.30.32,14:15:21.20.22:17.18.24,THB:24:18:21:15.23.22,33:34:28:31.30.32,33:31:28:34.35.26,26:34:30:28.27.32,26:27:30:34.35.33,14:15:21:17.19.18,19:20:15:17.18.24,19:18:15:21.20.22,(30.44,-12.61,;30.47,-11.07,;29.15,-10.27,;27.82,-11.05,;26.49,-10.27,;25.16,-11.05,;23.82,-10.27,;22.48,-11.05,;21.15,-10.27,;19.82,-11.05,;18.49,-10.27,;17.16,-11.04,;15.82,-10.28,;15.82,-8.74,;14.49,-11.05,;13.15,-10.29,;11.96,-11.24,;10.81,-10.38,;10.36,-9.04,;8.61,-8.92,;9.88,-9.82,;10.33,-11.27,;11.11,-8.82,;12.72,-8.84,;11.51,-8.1,;31.81,-10.33,;33.12,-11.12,;33.1,-12.63,;32.15,-13.86,;33.78,-13.24,;35.15,-13.82,;36.1,-12.76,;34.56,-13.25,;36.1,-11.25,;34.69,-10.68,;33.83,-11.83,)| Show InChI InChI=1S/C30H50N4O2/c35-29(33-27-23-11-19-9-20(13-23)14-24(27)12-19)31-7-5-3-1-2-4-6-8-32-30(36)34-28-25-15-21-10-22(17-25)18-26(28)16-21/h19-28H,1-18H2,(H2,31,33,35)(H2,32,34,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Volzhsky Polytechnic Institute (branch) Volgograd State Technical University Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins followed by substrate addition measured at...				Bioorg Med Chem Lett 24: 2193-7 (2014) Article DOI: 10.1016/j.bmcl.2014.03.016 BindingDB Entry DOI: 10.7270/Q2PR7XHZ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM25731 (1,3-dicyclohexylurea | CHEMBL1458 | US8815951, 1,3...) Show SMILES O=C(NC1CCCCC1)NC1CCCCC1 Show InChI InChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Volzhsky Polytechnic Institute (branch) Volgograd State Technical University Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins followed by substrate addition measured at...				Bioorg Med Chem Lett 24: 2193-7 (2014) Article DOI: 10.1016/j.bmcl.2014.03.016 BindingDB Entry DOI: 10.7270/Q2PR7XHZ
					More data for this Ligand-Target Pair