Compile Data Set for Download or QSAR

Found 603 hits with Last Name = 'lee' and Initial = 're'   

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
dTDP-4-dehydrorhamnose 3,5-epimerase (Mycobacterium tuberculosis H37Rv)	BDBM50481568 (CHEMBL592712) Show SMILES C=CCn1c2ccccc2c2nnc(SCCCn3c4ccccc4[nH]c3=O)nc12 Show InChI InChI=1S/C22H20N6OS/c1-2-12-27-17-10-5-3-8-15(17)19-20(27)24-21(26-25-19)30-14-7-13-28-18-11-6-4-9-16(18)23-22(28)29/h2-6,8-11H,1,7,12-14H2,(H,23,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis RmlC expressed in Escherichia coli by spectrophotometry				Bioorg Med Chem 18: 896-908 (2010) Article DOI: 10.1016/j.bmc.2009.11.033 BindingDB Entry DOI: 10.7270/Q2N300SV
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50247012 (3beta-O-Succinyl-18-beta-glycyrrhetinic acid | Car...) Show SMILES CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O)OC(=O)CCC(O)=O |r,t:18| Show InChI InChI=1S/C34H50O7/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40)/t21-,23-,24-,27+,30+,31-,32-,33+,34+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of N-terminal MKHQHQHQHQHQHQQPL-tagged 11beta-HSD1 C272S mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) using cortisol a...				J Med Chem 62: 6925-6940 (2019) Article DOI: 10.1021/acs.jmedchem.9b00187 BindingDB Entry DOI: 10.7270/Q23R0X43
					More data for this Ligand-Target Pair				3D Structure (crystal)
dTDP-4-dehydrorhamnose 3,5-epimerase (Mycobacterium tuberculosis H37Rv)	BDBM51599 (3-[3-[(5-ethyl-[1,2,4]triazin[5,6-b]indol-3-yl)thi...) Show SMILES CCn1c2ccccc2c2nnc(SCCCn3c4ccccc4[nH]c3=O)nc12 Show InChI InChI=1S/C21H20N6OS/c1-2-26-16-10-5-3-8-14(16)18-19(26)23-20(25-24-18)29-13-7-12-27-17-11-6-4-9-15(17)22-21(27)28/h3-6,8-11H,2,7,12-13H2,1H3,(H,22,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis RmlC expressed in Escherichia coli by spectrophotometry				Bioorg Med Chem 18: 896-908 (2010) Article DOI: 10.1016/j.bmc.2009.11.033 BindingDB Entry DOI: 10.7270/Q2N300SV
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50504051 (CHEMBL4450502) Show SMILES CC1=CC[C@]2(C[C@@H]1O)[C@@H](CC[C@@H]2C(O)=O)C1CCCCC1 |r,t:1| Show InChI InChI=1S/C18H28O3/c1-12-9-10-18(11-16(12)19)14(7-8-15(18)17(20)21)13-5-3-2-4-6-13/h9,13-16,19H,2-8,10-11H2,1H3,(H,20,21)/t14-,15+,16-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of N-terminal MKHQHQHQHQHQHQQPL-tagged 11beta-HSD1 C272S mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) using cortisol a...				J Med Chem 62: 6925-6940 (2019) Article DOI: 10.1021/acs.jmedchem.9b00187 BindingDB Entry DOI: 10.7270/Q23R0X43
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50504050 (CHEMBL4436767) Show SMILES CC1=CC[C@]2(C=C1)[C@@H](CC[C@@H]2C(O)=O)C1CCCCC1 |r,c:5,t:1| Show InChI InChI=1S/C18H26O2/c1-13-9-11-18(12-10-13)15(7-8-16(18)17(19)20)14-5-3-2-4-6-14/h9-11,14-16H,2-8,12H2,1H3,(H,19,20)/t15-,16+,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of N-terminal MKHQHQHQHQHQHQQPL-tagged 11beta-HSD1 C272S mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) using cortisol a...				J Med Chem 62: 6925-6940 (2019) Article DOI: 10.1021/acs.jmedchem.9b00187 BindingDB Entry DOI: 10.7270/Q23R0X43
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM29864 (N-(Pyridin-2-yl) arylsulfonamide, 26) Show SMILES Nc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1 Show InChI InChI=1S/C18H14N4O2S/c19-12-13-4-6-14(7-5-13)15-8-10-16(11-9-15)25(23,24)22-18-3-1-2-17(20)21-18/h1-11H,(H3,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of N-terminal MKHQHQHQHQHQHQQPL-tagged 11beta-HSD1 C272S mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) using cortisol a...				J Med Chem 62: 6925-6940 (2019) Article DOI: 10.1021/acs.jmedchem.9b00187 BindingDB Entry DOI: 10.7270/Q23R0X43
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50504041 (CHEMBL4529787) Show SMILES CC(C)[C@@H]1CC[C@H](C(O)=O)[C@]11CC=C(C)[C@@H](O)C1 |r,t:13| Show InChI InChI=1S/C15H24O3/c1-9(2)11-4-5-12(14(17)18)15(11)7-6-10(3)13(16)8-15/h6,9,11-13,16H,4-5,7-8H2,1-3H3,(H,17,18)/t11-,12+,13-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of N-terminal MKHQHQHQHQHQHQQPL-tagged 11beta-HSD1 C272S mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) using cortisol a...				J Med Chem 62: 6925-6940 (2019) Article DOI: 10.1021/acs.jmedchem.9b00187 BindingDB Entry DOI: 10.7270/Q23R0X43
					More data for this Ligand-Target Pair				3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50504049 (CHEMBL4450320) Show SMILES CC1=CC[C@@]2([C@@H](CC[C@@H]2C(O)=O)C2CCCCC2)[C@H](O)C1 |r,t:1| Show InChI InChI=1S/C18H28O3/c1-12-9-10-18(16(19)11-12)14(7-8-15(18)17(20)21)13-5-3-2-4-6-13/h9,13-16,19H,2-8,10-11H2,1H3,(H,20,21)/t14-,15+,16+,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.63E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of N-terminal MKHQHQHQHQHQHQQPL-tagged 11beta-HSD1 C272S mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) using cortisol a...				J Med Chem 62: 6925-6940 (2019) Article DOI: 10.1021/acs.jmedchem.9b00187 BindingDB Entry DOI: 10.7270/Q23R0X43
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50504048 (CHEMBL4566781) Show SMILES CC(C)[C@@H]1CC[C@H](C(O)=O)[C@]11CCC(=C)[C@@H](O)C1 |r| Show InChI InChI=1S/C15H24O3/c1-9(2)11-4-5-12(14(17)18)15(11)7-6-10(3)13(16)8-15/h9,11-13,16H,3-8H2,1-2H3,(H,17,18)/t11-,12+,13-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of N-terminal MKHQHQHQHQHQHQQPL-tagged 11beta-HSD1 C272S mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) using cortisol a...				J Med Chem 62: 6925-6940 (2019) Article DOI: 10.1021/acs.jmedchem.9b00187 BindingDB Entry DOI: 10.7270/Q23R0X43
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50504053 (CHEMBL4536375) Show SMILES CC(C)[C@@H]1CC[C@H](C(O)=O)[C@]11CC=C(C)C(=O)C1 |r,t:13| Show InChI InChI=1S/C15H22O3/c1-9(2)11-4-5-12(14(17)18)15(11)7-6-10(3)13(16)8-15/h6,9,11-12H,4-5,7-8H2,1-3H3,(H,17,18)/t11-,12+,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of N-terminal MKHQHQHQHQHQHQQPL-tagged 11beta-HSD1 C272S mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) using cortisol a...				J Med Chem 62: 6925-6940 (2019) Article DOI: 10.1021/acs.jmedchem.9b00187 BindingDB Entry DOI: 10.7270/Q23R0X43
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50504052 (CHEMBL4552570) Show SMILES CC(C)[C@@H]1CC[C@H](C(O)=O)[C@]11CC=C(C)C[C@H]1O |r,t:13| Show InChI InChI=1S/C15H24O3/c1-9(2)11-4-5-12(14(17)18)15(11)7-6-10(3)8-13(15)16/h6,9,11-13,16H,4-5,7-8H2,1-3H3,(H,17,18)/t11-,12+,13+,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of N-terminal MKHQHQHQHQHQHQQPL-tagged 11beta-HSD1 C272S mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) using cortisol a...				J Med Chem 62: 6925-6940 (2019) Article DOI: 10.1021/acs.jmedchem.9b00187 BindingDB Entry DOI: 10.7270/Q23R0X43
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50504047 (CHEMBL4475775) Show SMILES CC(C)[C@@H]1CC[C@H](C(O)=O)[C@]11CCC(=C)[C@H](C1)OC(C)=O |r| Show InChI InChI=1S/C17H26O4/c1-10(2)13-5-6-14(16(19)20)17(13)8-7-11(3)15(9-17)21-12(4)18/h10,13-15H,3,5-9H2,1-2,4H3,(H,19,20)/t13-,14+,15-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.18E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of N-terminal MKHQHQHQHQHQHQQPL-tagged 11beta-HSD1 C272S mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) using cortisol a...				J Med Chem 62: 6925-6940 (2019) Article DOI: 10.1021/acs.jmedchem.9b00187 BindingDB Entry DOI: 10.7270/Q23R0X43
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50504044 (CHEMBL4548901) Show SMILES CC(C)[C@H]1CC[C@@H](C(O)=O)[C@@]11CC=C(C)[C@H](O)C1 |r,t:13| Show InChI InChI=1S/C15H24O3/c1-9(2)11-4-5-12(14(17)18)15(11)7-6-10(3)13(16)8-15/h6,9,11-13,16H,4-5,7-8H2,1-3H3,(H,17,18)/t11-,12+,13-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of N-terminal MKHQHQHQHQHQHQQPL-tagged 11beta-HSD1 C272S mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) using cortisol a...				J Med Chem 62: 6925-6940 (2019) Article DOI: 10.1021/acs.jmedchem.9b00187 BindingDB Entry DOI: 10.7270/Q23R0X43
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50504054 (CHEMBL4588470) Show SMILES CC(C)[C@@H]1CC[C@H](C(O)=O)[C@]11CC=C(C)[C@H](C1)OC(C)=O |r,t:13| Show InChI InChI=1S/C17H26O4/c1-10(2)13-5-6-14(16(19)20)17(13)8-7-11(3)15(9-17)21-12(4)18/h7,10,13-15H,5-6,8-9H2,1-4H3,(H,19,20)/t13-,14+,15-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.12E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of N-terminal MKHQHQHQHQHQHQQPL-tagged 11beta-HSD1 C272S mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) using cortisol a...				J Med Chem 62: 6925-6940 (2019) Article DOI: 10.1021/acs.jmedchem.9b00187 BindingDB Entry DOI: 10.7270/Q23R0X43
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50504042 (CHEMBL4545661) Show SMILES C[C@@H]1CC[C@H](C(O)=O)[C@]11CCC(=C)[C@@H](O)C1 |r| Show InChI InChI=1S/C13H20O3/c1-8-5-6-13(7-11(8)14)9(2)3-4-10(13)12(15)16/h9-11,14H,1,3-7H2,2H3,(H,15,16)/t9-,10-,11+,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of N-terminal MKHQHQHQHQHQHQQPL-tagged 11beta-HSD1 C272S mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) using cortisol a...				J Med Chem 62: 6925-6940 (2019) Article DOI: 10.1021/acs.jmedchem.9b00187 BindingDB Entry DOI: 10.7270/Q23R0X43
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50504056 (CHEMBL4580823) Show SMILES C[C@]1(O)CC[C@]2(C[C@@H]1O)[C@@H](CC[C@@H]2C(O)=O)C1CCCCC1 |r| Show InChI InChI=1S/C18H30O4/c1-17(22)9-10-18(11-15(17)19)13(7-8-14(18)16(20)21)12-5-3-2-4-6-12/h12-15,19,22H,2-11H2,1H3,(H,20,21)/t13-,14+,15-,17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.76E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of N-terminal MKHQHQHQHQHQHQQPL-tagged 11beta-HSD1 C272S mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) using cortisol a...				J Med Chem 62: 6925-6940 (2019) Article DOI: 10.1021/acs.jmedchem.9b00187 BindingDB Entry DOI: 10.7270/Q23R0X43
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50504058 (CHEMBL4528896) Show SMILES CC(C)[C@@H]1CC[C@H](C(O)=O)[C@@]11C[C@H](O)[C@](C)(O)[C@H](O)C1 |r| Show InChI InChI=1S/C15H26O5/c1-8(2)9-4-5-10(13(18)19)15(9)6-11(16)14(3,20)12(17)7-15/h8-12,16-17,20H,4-7H2,1-3H3,(H,18,19)/t9-,10+,11-,12+,14-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of N-terminal MKHQHQHQHQHQHQQPL-tagged 11beta-HSD1 C272S mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) using cortisol a...				J Med Chem 62: 6925-6940 (2019) Article DOI: 10.1021/acs.jmedchem.9b00187 BindingDB Entry DOI: 10.7270/Q23R0X43
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50504043 (CHEMBL4448701) Show SMILES COC1[C@H](O)C(=C)CC[C@@]11[C@@H](CC[C@@H]1C(O)=O)C(C)C |r| Show InChI InChI=1S/C16H26O4/c1-9(2)11-5-6-12(15(18)19)16(11)8-7-10(3)13(17)14(16)20-4/h9,11-14,17H,3,5-8H2,1-2,4H3,(H,18,19)/t11-,12+,13+,14?,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.45E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of N-terminal MKHQHQHQHQHQHQQPL-tagged 11beta-HSD1 C272S mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) using cortisol a...				J Med Chem 62: 6925-6940 (2019) Article DOI: 10.1021/acs.jmedchem.9b00187 BindingDB Entry DOI: 10.7270/Q23R0X43
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50504055 (CHEMBL4457718) Show SMILES CC(C)[C@@H]1CC[C@H](C(O)=O)[C@]11CC[C@](C)(O)C[C@H]1OC(C)=O |r| Show InChI InChI=1S/C17H28O5/c1-10(2)12-5-6-13(15(19)20)17(12)8-7-16(4,21)9-14(17)22-11(3)18/h10,12-14,21H,5-9H2,1-4H3,(H,19,20)/t12-,13+,14+,16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.89E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of N-terminal MKHQHQHQHQHQHQQPL-tagged 11beta-HSD1 C272S mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) using cortisol a...				J Med Chem 62: 6925-6940 (2019) Article DOI: 10.1021/acs.jmedchem.9b00187 BindingDB Entry DOI: 10.7270/Q23R0X43
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50504046 (CHEMBL4441254) Show SMILES CC(C)[C@@H]1CC[C@@H](C(O)=O)[C@]11CC=C(C)[C@@H](O)C1 |r,t:13| Show InChI InChI=1S/C15H24O3/c1-9(2)11-4-5-12(14(17)18)15(11)7-6-10(3)13(16)8-15/h6,9,11-13,16H,4-5,7-8H2,1-3H3,(H,17,18)/t11-,12-,13-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.54E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of N-terminal MKHQHQHQHQHQHQQPL-tagged 11beta-HSD1 C272S mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) using cortisol a...				J Med Chem 62: 6925-6940 (2019) Article DOI: 10.1021/acs.jmedchem.9b00187 BindingDB Entry DOI: 10.7270/Q23R0X43
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50504045 (CHEMBL4571180) Show SMILES CC(C)[C@@H]1CC[C@H](C(N)=O)[C@]11CC=C(C)[C@@H](O)C1 |r,t:13| Show InChI InChI=1S/C15H25NO2/c1-9(2)11-4-5-12(14(16)18)15(11)7-6-10(3)13(17)8-15/h6,9,11-13,17H,4-5,7-8H2,1-3H3,(H2,16,18)/t11-,12+,13-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of N-terminal MKHQHQHQHQHQHQQPL-tagged 11beta-HSD1 C272S mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) using cortisol a...				J Med Chem 62: 6925-6940 (2019) Article DOI: 10.1021/acs.jmedchem.9b00187 BindingDB Entry DOI: 10.7270/Q23R0X43
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50504057 (CHEMBL4531837) Show SMILES COC(=O)[C@H]1CC[C@@H](C(C)C)[C@@]11CC=C(C)[C@@H](O)C1 |r,t:14| Show InChI InChI=1S/C16H26O3/c1-10(2)12-5-6-13(15(18)19-4)16(12)8-7-11(3)14(17)9-16/h7,10,12-14,17H,5-6,8-9H2,1-4H3/t12-,13+,14-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of N-terminal MKHQHQHQHQHQHQQPL-tagged 11beta-HSD1 C272S mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) using cortisol a...				J Med Chem 62: 6925-6940 (2019) Article DOI: 10.1021/acs.jmedchem.9b00187 BindingDB Entry DOI: 10.7270/Q23R0X43
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50351243 (CHEMBL1818389) Show SMILES CC1(C)C2CC1C(CNC(=O)Nc1ccc(F)c(F)c1F)CC2 Show InChI InChI=1S/C17H21F3N2O/c1-17(2)10-4-3-9(11(17)7-10)8-21-16(23)22-13-6-5-12(18)14(19)15(13)20/h5-6,9-11H,3-4,7-8H2,1-2H3,(H2,21,22,23)	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
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay				Bioorg Med Chem 19: 5585-95 (2011) Article DOI: 10.1016/j.bmc.2011.07.034 BindingDB Entry DOI: 10.7270/Q2V69JZ1
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM53878 (4,5-dimethoxy-2-[2-(5-phenylthieno[2,3-d]pyrimidin...) Show SMILES COc1cc(NC(=O)CSc2ncnc3scc(-c4ccccc4)c23)c(cc1OC)C(O)=O Show InChI InChI=1S/C23H19N3O5S2/c1-30-17-8-14(23(28)29)16(9-18(17)31-2)26-19(27)11-33-22-20-15(13-6-4-3-5-7-13)10-32-21(20)24-12-25-22/h3-10,12H,11H2,1-2H3,(H,26,27)(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase 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
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay				Bioorg Med Chem 19: 5585-95 (2011) Article DOI: 10.1016/j.bmc.2011.07.034 BindingDB Entry DOI: 10.7270/Q2V69JZ1
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50351248 (CHEMBL1818384) Show SMILES Fc1ccc(NC(=O)NC2C3CC4CC(C3)CC2C4)c(F)c1F |TLB:18:17:15:11.12.13,THB:8:9:15:11.12.13,18:12:9.17.16:15,13:12:9:16.14.15,13:14:9:11.18.12,(-9.43,3.25,;-8.09,2.48,;-6.76,3.25,;-5.43,2.49,;-5.42,.94,;-4.09,.17,;-2.75,.94,;-2.76,2.48,;-1.42,.17,;-.09,.95,;1.13,2.21,;2.44,1.7,;3.84,2.02,;3.88,3.55,;2.49,4.15,;1.14,3.69,;1.43,2.93,;1.41,1.35,;2.82,.76,;-6.76,.17,;-6.76,-1.37,;-8.09,.94,;-9.43,.17,)| Show InChI InChI=1S/C17H19F3N2O/c18-12-1-2-13(15(20)14(12)19)21-17(23)22-16-10-4-8-3-9(6-10)7-11(16)5-8/h1-2,8-11,16H,3-7H2,(H2,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay				Bioorg Med Chem 19: 5585-95 (2011) Article DOI: 10.1016/j.bmc.2011.07.034 BindingDB Entry DOI: 10.7270/Q2V69JZ1
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50351247 (CHEMBL1818385) Show SMILES Fc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c(F)c1F |TLB:8:9:12:16.14.15,THB:14:13:10:16.15.17,14:15:12.13.18:10,17:15:12:18.9.10,17:9:12:16.14.15| Show InChI InChI=1S/C17H19F3N2O/c18-12-1-2-13(15(20)14(12)19)21-16(23)22-17-6-9-3-10(7-17)5-11(4-9)8-17/h1-2,9-11H,3-8H2,(H2,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay				Bioorg Med Chem 19: 5585-95 (2011) Article DOI: 10.1016/j.bmc.2011.07.034 BindingDB Entry DOI: 10.7270/Q2V69JZ1
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50194500 (1-adamantan-1-yl-3-[4-(4-fluoro-phenoxy)-cyclohexy...) Show SMILES Fc1ccc(O[C@@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |wD:9.12,6.5,TLB:15:16:19:23.22.21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16,(23.93,-16.11,;24.66,-14.74,;23.84,-13.43,;24.56,-12.07,;26.1,-12.02,;26.82,-10.66,;26,-9.35,;24.46,-9.4,;23.64,-8.1,;24.37,-6.75,;25.9,-6.67,;26.72,-7.99,;23.55,-5.45,;22,-5.51,;21.18,-4.2,;21.29,-6.87,;19.75,-6.93,;19.3,-8.5,;17.78,-8.52,;16.56,-9.49,;17.17,-7.85,;16.59,-6.47,;17.66,-5.52,;17.17,-7.05,;19.17,-5.51,;18.59,-7.79,;26.92,-13.32,;26.2,-14.68,)| Show InChI InChI=1S/C23H31FN2O2/c24-18-1-5-20(6-2-18)28-21-7-3-19(4-8-21)25-22(27)26-23-12-15-9-16(13-23)11-17(10-15)14-23/h1-2,5-6,15-17,19,21H,3-4,7-14H2,(H2,25,26,27)/t15?,16?,17?,19-,21+,23?	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50351246 (CHEMBL1818386) Show SMILES Fc1ccc(NC(=O)NCC23CC4CC(CC(C4)C2)C3)c(F)c1F |TLB:13:14:11.12.17:18,THB:13:12:18:19.14.15,15:14:11:17.16.18,15:16:11:19.13.14| Show InChI InChI=1S/C18H21F3N2O/c19-13-1-2-14(16(21)15(13)20)23-17(24)22-9-18-6-10-3-11(7-18)5-12(4-10)8-18/h1-2,10-12H,3-9H2,(H2,22,23,24)	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
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay				Bioorg Med Chem 19: 5585-95 (2011) Article DOI: 10.1016/j.bmc.2011.07.034 BindingDB Entry DOI: 10.7270/Q2V69JZ1
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50351245 (CHEMBL1818387) Show SMILES CCCCCCCNC(=O)Nc1ccc(F)c(F)c1F Show InChI InChI=1S/C14H19F3N2O/c1-2-3-4-5-6-9-18-14(20)19-11-8-7-10(15)12(16)13(11)17/h7-8H,2-6,9H2,1H3,(H2,18,19,20)	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
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay				Bioorg Med Chem 19: 5585-95 (2011) Article DOI: 10.1016/j.bmc.2011.07.034 BindingDB Entry DOI: 10.7270/Q2V69JZ1
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50351244 (CHEMBL1818388) Show SMILES CC1C2CC(CC1NC(=O)Nc1ccc(F)c(F)c1F)C2(C)C Show InChI InChI=1S/C17H21F3N2O/c1-8-10-6-9(17(10,2)3)7-13(8)22-16(23)21-12-5-4-11(18)14(19)15(12)20/h4-5,8-10,13H,6-7H2,1-3H3,(H2,21,22,23)	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
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay				Bioorg Med Chem 19: 5585-95 (2011) Article DOI: 10.1016/j.bmc.2011.07.034 BindingDB Entry DOI: 10.7270/Q2V69JZ1
					More data for this Ligand-Target Pair
Pantothenate kinase 3 (Homo sapiens (Human))	BDBM50586918 (CHEMBL5082138) Show SMILES CC(C)c1ccc(CC(=O)N2CCN(CC2)c2ccc(Cl)nn2)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant N-terminal His6-fusion tagged PanK3 expressed in Escherichia coli BL21 (DE3) measured after 10 mins in presence of AT...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116504 BindingDB Entry DOI: 10.7270/Q2XW4PQ5
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50351222 (CHEMBL1818408) Show SMILES Fc1c(NC(=O)NC2CCCCCCC2)cccc1C(F)(F)F Show InChI InChI=1S/C16H20F4N2O/c17-14-12(16(18,19)20)9-6-10-13(14)22-15(23)21-11-7-4-2-1-3-5-8-11/h6,9-11H,1-5,7-8H2,(H2,21,22,23)	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
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay				Bioorg Med Chem 19: 5585-95 (2011) Article DOI: 10.1016/j.bmc.2011.07.034 BindingDB Entry DOI: 10.7270/Q2V69JZ1
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50351223 (CHEMBL1818407) Show SMILES CCCCCCCNC(=O)Nc1cccc(c1F)C(F)(F)F Show InChI InChI=1S/C15H20F4N2O/c1-2-3-4-5-6-10-20-14(22)21-12-9-7-8-11(13(12)16)15(17,18)19/h7-9H,2-6,10H2,1H3,(H2,20,21,22)	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
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay				Bioorg Med Chem 19: 5585-95 (2011) Article DOI: 10.1016/j.bmc.2011.07.034 BindingDB Entry DOI: 10.7270/Q2V69JZ1
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50351226 (CHEMBL1818404) Show SMILES Cc1ccc(NC(=O)NC2CCCCCCC2)cc1Cl Show InChI InChI=1S/C16H23ClN2O/c1-12-9-10-14(11-15(12)17)19-16(20)18-13-7-5-3-2-4-6-8-13/h9-11,13H,2-8H2,1H3,(H2,18,19,20)	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
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay				Bioorg Med Chem 19: 5585-95 (2011) Article DOI: 10.1016/j.bmc.2011.07.034 BindingDB Entry DOI: 10.7270/Q2V69JZ1
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50351228 (CHEMBL1817677) Show SMILES Cc1ccc(NC(=O)NCC23CC4CC(CC(C4)C2)C3)cc1Cl |TLB:13:14:11.12.17:18,THB:13:12:18:19.14.15,15:14:11:17.16.18,15:16:11:19.13.14| Show InChI InChI=1S/C19H25ClN2O/c1-12-2-3-16(7-17(12)20)22-18(23)21-11-19-8-13-4-14(9-19)6-15(5-13)10-19/h2-3,7,13-15H,4-6,8-11H2,1H3,(H2,21,22,23)	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
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay				Bioorg Med Chem 19: 5585-95 (2011) Article DOI: 10.1016/j.bmc.2011.07.034 BindingDB Entry DOI: 10.7270/Q2V69JZ1
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50351248 (CHEMBL1818384) Show SMILES Fc1ccc(NC(=O)NC2C3CC4CC(C3)CC2C4)c(F)c1F |TLB:18:17:15:11.12.13,THB:8:9:15:11.12.13,18:12:9.17.16:15,13:12:9:16.14.15,13:14:9:11.18.12,(-9.43,3.25,;-8.09,2.48,;-6.76,3.25,;-5.43,2.49,;-5.42,.94,;-4.09,.17,;-2.75,.94,;-2.76,2.48,;-1.42,.17,;-.09,.95,;1.13,2.21,;2.44,1.7,;3.84,2.02,;3.88,3.55,;2.49,4.15,;1.14,3.69,;1.43,2.93,;1.41,1.35,;2.82,.76,;-6.76,.17,;-6.76,-1.37,;-8.09,.94,;-9.43,.17,)| Show InChI InChI=1S/C17H19F3N2O/c18-12-1-2-13(15(20)14(12)19)21-17(23)22-16-10-4-8-3-9(6-10)7-11(16)5-8/h1-2,8-11,16H,3-7H2,(H2,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50351242 (CHEMBL1818390) Show SMILES Fc1ccc(NC(=O)NC2CCCCCCC2)c(F)c1F Show InChI InChI=1S/C15H19F3N2O/c16-11-8-9-12(14(18)13(11)17)20-15(21)19-10-6-4-2-1-3-5-7-10/h8-10H,1-7H2,(H2,19,20,21)	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
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay				Bioorg Med Chem 19: 5585-95 (2011) Article DOI: 10.1016/j.bmc.2011.07.034 BindingDB Entry DOI: 10.7270/Q2V69JZ1
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50351237 (CHEMBL1818395) Show SMILES CC(=O)c1cccc(NC(=O)NC2C3CC4CC(C3)CC2C4)c1 |TLB:21:20:18:14.15.16,THB:11:12:18:14.15.16,21:15:12.20.19:18,16:15:12:19.17.18,16:17:12:14.21.15,(25.6,-26.26,;26.93,-27.03,;26.93,-28.57,;28.27,-26.26,;28.27,-24.72,;29.6,-23.95,;30.93,-24.71,;30.94,-26.26,;32.27,-27.03,;33.61,-26.26,;33.6,-24.72,;34.94,-27.03,;36.27,-26.25,;37.47,-24.98,;38.79,-25.47,;40.19,-25.12,;40.21,-23.59,;38.8,-23.01,;37.46,-23.49,;37.76,-24.25,;37.77,-25.83,;39.18,-26.4,;29.6,-27.03,)| Show InChI InChI=1S/C19H24N2O2/c1-11(22)14-3-2-4-17(10-14)20-19(23)21-18-15-6-12-5-13(8-15)9-16(18)7-12/h2-4,10,12-13,15-16,18H,5-9H2,1H3,(H2,20,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase 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
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay				Bioorg Med Chem 19: 5585-95 (2011) Article DOI: 10.1016/j.bmc.2011.07.034 BindingDB Entry DOI: 10.7270/Q2V69JZ1
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50351229 (CHEMBL1818402) Show SMILES CCCCCCCNC(=O)NC1C2CC3CC(C2)CC1C3 |TLB:20:19:17:13.14.15,THB:20:14:11.19.18:17,15:14:11:18.16.17,15:16:11:13.20.14,10:11:17:13.14.15,(27.29,-48.43,;28.62,-49.2,;29.96,-48.43,;31.29,-49.2,;32.62,-48.43,;33.96,-49.2,;35.29,-48.43,;36.63,-49.2,;37.96,-48.42,;37.96,-46.88,;39.3,-49.19,;40.63,-48.42,;41.83,-47.14,;43.15,-47.63,;44.54,-47.29,;44.56,-45.76,;43.16,-45.18,;41.82,-45.66,;42.12,-46.42,;42.12,-48,;43.54,-48.56,)| Show InChI InChI=1S/C18H32N2O/c1-2-3-4-5-6-7-19-18(21)20-17-15-9-13-8-14(11-15)12-16(17)10-13/h13-17H,2-12H2,1H3,(H2,19,20,21)	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
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay				Bioorg Med Chem 19: 5585-95 (2011) Article DOI: 10.1016/j.bmc.2011.07.034 BindingDB Entry DOI: 10.7270/Q2V69JZ1
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435158 (CHEMBL2392762) Show SMILES Cc1noc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1Cl |TLB:8:9:12:16.15.14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9| Show InChI InChI=1S/C15H20ClN3O2/c1-8-12(16)13(21-19-8)17-14(20)18-15-5-9-2-10(6-15)4-11(3-9)7-15/h9-11H,2-7H2,1H3,(H2,17,18,20)	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
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...				Bioorg Med Chem 21: 2587-99 (2013) Article DOI: 10.1016/j.bmc.2013.02.028 BindingDB Entry DOI: 10.7270/Q2DR2WXJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50217458 (CHEMBL244192 | cis-1-adamantan-1-yl-3-[4-(4-methox...) Show SMILES COc1ccc(O[C@@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |wU:10.13,7.6,TLB:16:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17,16:17:20:24.23.22,(5.89,-12.26,;5.07,-10.96,;3.53,-11.02,;2.8,-12.38,;1.27,-12.43,;.45,-11.13,;-1.09,-11.18,;-1.81,-12.54,;-3.35,-12.6,;-4.07,-13.97,;-3.26,-15.26,;-1.71,-15.21,;-.99,-13.85,;-3.97,-16.62,;-5.51,-16.68,;-6.33,-15.38,;-6.23,-18.05,;-7.77,-18.11,;-8.78,-19.39,;-10.19,-18.82,;-11.69,-19.24,;-10.49,-17.97,;-10.5,-16.48,;-9.15,-16.01,;-10.19,-17.24,;-7.75,-16.58,;-9.17,-18.46,;1.17,-9.77,;2.7,-9.71,)| Show InChI InChI=1S/C24H34N2O3/c1-28-20-6-8-22(9-7-20)29-21-4-2-19(3-5-21)25-23(27)26-24-13-16-10-17(14-24)12-18(11-16)15-24/h6-9,16-19,21H,2-5,10-15H2,1H3,(H2,25,26,27)/t16?,17?,18?,19-,21+,24?	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50217459 (CHEMBL243335 | trans-1-adamantan-1-yl-3-[4-(4-fluo...) Show SMILES Fc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |wU:6.5,wD:9.12,TLB:15:16:19.18.23:21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16,15:16:19:23.22.21,(31.83,-10.88,;30.29,-10.94,;29.56,-12.3,;28.03,-12.36,;27.21,-11.05,;25.67,-11.11,;24.95,-12.47,;25.77,-13.77,;25.05,-15.13,;23.5,-15.18,;22.68,-13.89,;23.41,-12.52,;22.79,-16.55,;21.25,-16.61,;20.42,-15.31,;20.53,-17.97,;18.99,-18.03,;17.98,-19.31,;16.57,-18.75,;15.07,-19.17,;16.27,-17.89,;16.26,-16.4,;17.6,-15.93,;16.56,-17.16,;19,-16.51,;17.59,-18.38,;27.92,-9.69,;29.46,-9.63,)| Show InChI InChI=1S/C23H31FN2O2/c24-18-1-5-20(6-2-18)28-21-7-3-19(4-8-21)25-22(27)26-23-12-15-9-16(13-23)11-17(10-15)14-23/h1-2,5-6,15-17,19,21H,3-4,7-14H2,(H2,25,26,27)/t15?,16?,17?,19-,21-,23?	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50383471 (CHEMBL2031812) Show SMILES O=C(Nc1ccc(Oc2ccccc2)cc1)NC12CC3CC(CC(C3)C1)C2 |TLB:16:17:20:24.23.22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17| Show InChI InChI=1S/C23H26N2O2/c26-22(25-23-13-16-10-17(14-23)12-18(11-16)15-23)24-19-6-8-21(9-7-19)27-20-4-2-1-3-5-20/h1-9,16-18H,10-15H2,(H2,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase 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
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50383462 (CHEMBL2031797) Show SMILES Ic1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:8:9:12:16.15.14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9| Show InChI InChI=1S/C17H21IN2O/c18-14-1-3-15(4-2-14)19-16(21)20-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H2,19,20,21)	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
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50383517 (CHEMBL2032045) Show SMILES Clc1cc(NC(=O)NC23CC4CC(CC(C4)C2)C3)ccc1OCCN1CCOCC1 |TLB:7:8:11:15.14.13,THB:9:10:13:17.8.16,9:8:11.10.15:13,16:8:11:15.14.13,16:14:11:17.9.8| Show InChI InChI=1S/C23H32ClN3O3/c24-20-12-19(1-2-21(20)30-8-5-27-3-6-29-7-4-27)25-22(28)26-23-13-16-9-17(14-23)11-18(10-16)15-23/h1-2,12,16-18H,3-11,13-15H2,(H2,25,26,28)	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
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Pantothenate kinase 3 (Homo sapiens (Human))	BDBM50155166 (4-(6-Chloro-pyridazin-3-yl)-piperazine-1-carboxyli...) Show SMILES CC(C)c1ccc(NC(=O)N2CCN(CC2)c2ccc(Cl)nn2)cc1 Show InChI InChI=1S/C18H22ClN5O/c1-13(2)14-3-5-15(6-4-14)20-18(25)24-11-9-23(10-12-24)17-8-7-16(19)21-22-17/h3-8,13H,9-12H2,1-2H3,(H,20,25)	PDB UniProtKB/SwissProt 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
TBA					Assay Description Inhibition of human recombinant N-terminal His6-fusion tagged PanK3 expressed in Escherichia coli BL21 (DE3) measured after 10 mins in presence of AT...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116504 BindingDB Entry DOI: 10.7270/Q2XW4PQ5
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435174 (CHEMBL2392747) Show SMILES Nc1ccc(NS(=O)(=O)c2ccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)cc2)cc1 |TLB:16:17:20:24.23.22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17| Show InChI InChI=1S/C23H28N4O3S/c24-18-1-3-20(4-2-18)27-31(29,30)21-7-5-19(6-8-21)25-22(28)26-23-12-15-9-16(13-23)11-17(10-15)14-23/h1-8,15-17,27H,9-14,24H2,(H2,25,26,28)	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
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...				Bioorg Med Chem 21: 2587-99 (2013) Article DOI: 10.1016/j.bmc.2013.02.028 BindingDB Entry DOI: 10.7270/Q2DR2WXJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50196661 (12-(3-adamantan-1-yl-ureido)-dodecanoic acid butyl...) Show SMILES CCCCOC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:21:22:25:29.28.27,THB:23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22| Show InChI InChI=1S/C27H48N2O3/c1-2-3-15-32-25(30)13-11-9-7-5-4-6-8-10-12-14-28-26(31)29-27-19-22-16-23(20-27)18-24(17-22)21-27/h22-24H,2-21H2,1H3,(H2,28,29,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435162 (CHEMBL2392758) Show SMILES Cc1onc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1Br |TLB:8:9:12:16.15.14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9| Show InChI InChI=1S/C15H20BrN3O2/c1-8-12(16)13(19-21-8)17-14(20)18-15-5-9-2-10(6-15)4-11(3-9)7-15/h9-11H,2-7H2,1H3,(H2,17,18,19,20)	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
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...				Bioorg Med Chem 21: 2587-99 (2013) Article DOI: 10.1016/j.bmc.2013.02.028 BindingDB Entry DOI: 10.7270/Q2DR2WXJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50383482 (CHEMBL2031930) Show SMILES CCOC(=O)C(F)(F)Oc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:16:17:20:24.23.22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17| Show InChI InChI=1S/C21H26F2N2O4/c1-2-28-18(26)21(22,23)29-17-5-3-16(4-6-17)24-19(27)25-20-10-13-7-14(11-20)9-15(8-13)12-20/h3-6,13-15H,2,7-12H2,1H3,(H2,24,25,27)	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
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
					More data for this Ligand-Target Pair

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