Compile Data Set for Download or QSAR

Found 395 hits with Last Name = 'willems' and Initial = 's'   

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))	BDBM50586969 (CHEMBL5088299) Show SMILES Fc1cccc(c1)S(=O)(=O)n1ccc2cc(ccc12)C(=O)NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586964 (CHEMBL5074984) Show SMILES CC(C)S(=O)(=O)n1ccc2cc(ccc12)C(=O)NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586961 (CHEMBL5078180) Show SMILES CC(C)Cn1ccc2cc(ccc12)C(=O)NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586956 (CHEMBL5075652) Show SMILES CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc3n(ccc3c2)S(=O)(=O)c2cccc(F)c2)c(c1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586965 (CHEMBL5074074) Show SMILES COCCn1ccc2cc(ccc12)C(=O)NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586954 (CHEMBL5079563) Show SMILES CC(c1cccc(F)c1)n1ccc2cc(ccc12)C(=O)NCc1ccc(CS(C)(=O)=O)cc1C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586945 (CHEMBL5084314) Show SMILES CCS(=O)(=O)Nc1ccc(CNC(=O)c2ccc3n(Cc4cccc(F)c4)ccc3c2)c(c1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586963 (CHEMBL5090087) Show SMILES FC(F)(F)C(Cn1ccc2cc(ccc12)C(=O)NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586962 (CHEMBL5081457) Show SMILES FC(F)(F)c1cc(CS(=O)(=O)C2CC2)ccc1CNC(=O)c1ccc2n(CC3CC3)ccc2c1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586955 (CHEMBL5090873) Show SMILES CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc3n(ccc3c2)C(=O)c2cccc(F)c2)c(c1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586966 (CHEMBL5091134) Show SMILES FC(F)(F)c1cc(CS(=O)(=O)C2CC2)ccc1CNC(=O)c1ccc2n(CC3COC3)ccc2c1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586944 (CHEMBL5090821) Show SMILES CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc3n(Cc4cccc(F)c4)ccc3c2)c(c1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586947 (CHEMBL5087833) Show SMILES Fc1cccc(Cn2ccc3cc(ccc23)C(=O)NCc2ccc(NC(=O)C(F)(F)F)cc2C(F)(F)F)c1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586960 (CHEMBL5081013) Show SMILES CC(C)n1ccc2cc(ccc12)C(=O)NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586959 (CHEMBL5092964) Show SMILES CCn1ccc2cc(ccc12)C(=O)NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586948 (CHEMBL5087046) Show SMILES CSCc1ccc(CNC(=O)c2ccc3n(Cc4cccc(F)c4)ccc3c2)c(c1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586949 (CHEMBL5080474) Show SMILES CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc3n(Cc4cccc(F)c4)ccc3c2)c(c1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586952 (CHEMBL5094953) Show SMILES CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc3n(Cc4cccc(F)c4)ccc3c2)c(Cl)c1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586943 (CHEMBL5087861) Show SMILES Nc1ccc(CNC(=O)c2ccc3n(Cc4cccc(F)c4)ccc3c2)c(c1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586946 (CHEMBL5084336) Show SMILES Fc1cccc(Cn2ccc3cc(ccc23)C(=O)NCc2ccc(NS(=O)(=O)C3CC3)cc2C(F)(F)F)c1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional epoxide hydrolase 2 (Mus musculus (Mouse))	BDBM50586956 (CHEMBL5075652) Show SMILES CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc3n(ccc3c2)S(=O)(=O)c2cccc(F)c2)c(c1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal His-tagged mouse sEH (2 to 554 residues) expressed in Escherichia coli Rosetta2 (DE3) assessed as reduction in 6-methoxy-2-n...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586951 (CHEMBL5074222) Show SMILES CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc3n(Cc4cccc(F)c4)ccc3c2)c(F)c1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586971 (CHEMBL5076679) Show SMILES CC(C)S(=O)(=O)n1c(C)cc2cc(ccc12)C(=O)NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586958 (CHEMBL5090820) Show SMILES Cn1ccc2cc(ccc12)C(=O)NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50465529 (CHEMBL4279086) Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)NC3CCCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C31H34N4O5S/c1-35-20-23(27-19-25(15-16-28(27)35)33-31(37)32-24-9-5-3-6-10-24)17-21-13-14-22(18-29(21)40-2)30(36)34-41(38,39)26-11-7-4-8-12-26/h4,7-8,11-16,18-20,24H,3,5-6,9-10,17H2,1-2H3,(H,34,36)(H2,32,33,37)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Inhibition of human sEH in human HepG2 cells using (+/-)14(15)-EET-d11 as substrate assessed as formation of (+/-)14(15)-DHET-d11 preincubated for 15...				J Med Chem 61: 5758-5764 (2018) Article DOI: 10.1021/acs.jmedchem.8b00458 BindingDB Entry DOI: 10.7270/Q2TX3J21
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586940 (CHEMBL5092049) Show SMILES COc1ccc(CNC(=O)c2ccc3n(Cc4cccc(F)c4)ncc3c2)c(c1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586935 (CHEMBL5087313) Show SMILES COc1ccc(CNC(=O)c2ccc3n(Cc4ccccc4)c(=O)[nH]c3c2)c(c1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586967 (CHEMBL5076425) Show SMILES CN(C)CCn1ccc2cc(ccc12)C(=O)NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586936 (CHEMBL5080856) Show SMILES COc1ccc(CNC(=O)c2ccc3n(Cc4cccc(F)c4)c(=O)[nH]c3c2)c(c1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586957 (CHEMBL5077363) Show SMILES FC(F)(F)c1cc(CS(=O)(=O)C2CC2)ccc1CNC(=O)c1ccc2[nH]ccc2c1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586970 (CHEMBL5074383) Show SMILES Cc1cc2cc(ccc2n1Cc1cccc(F)c1)C(=O)NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586939 (CHEMBL5080632) Show SMILES Fc1cccc(Cn2ncc3cc(ccc23)C(=O)NCc2ccccc2C(F)(F)F)c1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586938 (CHEMBL5082042) Show SMILES COc1ccc(CNC(=O)c2ccc3n(Cc4cccc(F)c4)cnc3c2)c(c1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586953 (CHEMBL5085618) Show SMILES CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc3[nH]ccc3c2)c(c1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50465529 (CHEMBL4279086) Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)NC3CCCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C31H34N4O5S/c1-35-20-23(27-19-25(15-16-28(27)35)33-31(37)32-24-9-5-3-6-10-24)17-21-13-14-22(18-29(21)40-2)30(36)34-41(38,39)26-11-7-4-8-12-26/h4,7-8,11-16,18-20,24H,3,5-6,9-10,17H2,1-2H3,(H,34,36)(H2,32,33,37)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by sp...				J Med Chem 61: 5758-5764 (2018) Article DOI: 10.1021/acs.jmedchem.8b00458 BindingDB Entry DOI: 10.7270/Q2TX3J21
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Mus musculus (Mouse))	BDBM50586944 (CHEMBL5090821) Show SMILES CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc3n(Cc4cccc(F)c4)ccc3c2)c(c1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal His-tagged mouse sEH (2 to 554 residues) expressed in Escherichia coli Rosetta2 (DE3) assessed as reduction in 6-methoxy-2-n...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586927 (CHEMBL5075443) Show SMILES Fc1cc(F)cc(Cn2c3ccc(cc3[nH]c2=O)C(=O)NCc2ccccc2C(F)(F)F)c1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586924 (CHEMBL5093048) Show SMILES Fc1ccccc1Cn1c2ccc(cc2[nH]c1=O)C(=O)NCc1ccccc1C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50559586 (CHEMBL4756964) Show SMILES CC(C)(C)c1ccc(cc1)-c1cc(CCC(O)=O)n[nH]1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human FXR-LBD transfected in human HEK293T cells co-expressing pFR-Luc/pRL assessed as reduction in GW4064-induced activity in...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00647 BindingDB Entry DOI: 10.7270/Q2NS0ZM3
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586921 (CHEMBL5084529) Show SMILES FC(F)(F)c1ccccc1CNC(=O)c1ccc2n(Cc3ccccc3)c(=O)[nH]c2c1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586929 (CHEMBL5083326) Show SMILES FC(F)(F)c1ccccc1CNC(=O)c1ccc2n(Cc3cccc(Cl)c3)c(=O)[nH]c2c1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586932 (CHEMBL5090522) Show SMILES FC(F)(F)c1ccccc1CNC(=O)c1ccc2n(Cc3ccc(Cl)cc3Cl)c(=O)[nH]c2c1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586937 (CHEMBL5078732) Show SMILES Fc1cccc(Cn2cnc3cc(ccc23)C(=O)NCc2ccccc2C(F)(F)F)c1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	107	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50559584 (CHEMBL4757629) Show SMILES CC(C)(C)c1ccc(cc1)-c1nnc(CCC(O)=O)o1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human FXR-LBD transfected in human HEK293T cells co-expressing pFR-Luc/pRL assessed as reduction in GW4064-induced activity in...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00647 BindingDB Entry DOI: 10.7270/Q2NS0ZM3
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586926 (CHEMBL5074933) Show SMILES Fc1ccc(Cn2c3ccc(cc3[nH]c2=O)C(=O)NCc2ccccc2C(F)(F)F)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	142	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50465527 (CHEMBL4288574) Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)NC3CCCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C Show InChI InChI=1S/C32H36N4O5S/c1-21-9-7-8-12-30(21)42(39,40)35-31(37)23-14-13-22(29(18-23)41-3)17-24-20-36(2)28-16-15-26(19-27(24)28)34-32(38)33-25-10-5-4-6-11-25/h7-9,12-16,18-20,25H,4-6,10-11,17H2,1-3H3,(H,35,37)(H2,33,34,38)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by sp...				J Med Chem 61: 5758-5764 (2018) Article DOI: 10.1021/acs.jmedchem.8b00458 BindingDB Entry DOI: 10.7270/Q2TX3J21
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586925 (CHEMBL5071398) Show SMILES Fc1cccc(Cn2c3ccc(cc3[nH]c2=O)C(=O)NCc2ccccc2C(F)(F)F)c1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	153	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586950 (CHEMBL5086086) Show SMILES CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc3n(Cc4cccc(F)c4)ccc3c2)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	157	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50586928 (CHEMBL5089975) Show SMILES FC(F)(F)c1ccccc1CNC(=O)c1ccc2n(Cc3ccccc3Cl)c(=O)[nH]c2c1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	171	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Mus musculus (Mouse))	BDBM50586970 (CHEMBL5074383) Show SMILES Cc1cc2cc(ccc2n1Cc1cccc(F)c1)C(=O)NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	176	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal His-tagged mouse sEH (2 to 554 residues) expressed in Escherichia coli Rosetta2 (DE3) assessed as reduction in 6-methoxy-2-n...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01331 BindingDB Entry DOI: 10.7270/Q2T43Z05
					More data for this Ligand-Target Pair

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