Compile Data Set for Download or QSAR

Found 93 hits with Last Name = 'puli' and Initial = 'n'   

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))	BDBM25737 (12-[(adamantan-1-ylcarbamoyl)amino]dodecanoic acid...) Show SMILES OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:20:27:24.23.26,25:24:20.21.19:27,THB:23:22:19:24.25.26,23:24:19:22.21.27| Show InChI InChI=1S/C23H40N2O3/c26-21(27)10-8-6-4-2-1-3-5-7-9-11-24-22(28)25-23-15-18-12-19(16-23)14-20(13-18)17-23/h18-20H,1-17H2,(H,26,27)(H2,24,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase expressed in baculovirus system assessed as appearance of 6-methoxynapthaldehyde product by...				J Med Chem 52: 5069-75 (2010) Article DOI: 10.1021/jm900634w BindingDB Entry DOI: 10.7270/Q28915W9
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |r,THB:20:19:12.13:16.15,10:12:18.19:16.15| Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 by fluorescence method				J Med Chem 62: 10124-10143 (2019) Article DOI: 10.1021/acs.jmedchem.9b00952 BindingDB Entry DOI: 10.7270/Q2QF8XB9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |r,THB:20:19:12.13:16.15,10:12:18.19:16.15| Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 by fluorescence method				J Med Chem 62: 10124-10143 (2019) Article DOI: 10.1021/acs.jmedchem.9b00952 BindingDB Entry DOI: 10.7270/Q2QF8XB9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50295082 (12-(3-n-Hexylureido)dodec-8(Z)-enoic acid | CHEMBL...) Show SMILES CCCCCCNC(=O)NCCC\C=C/CCCCCCC(O)=O Show InChI InChI=1S/C19H36N2O3/c1-2-3-4-13-16-20-19(24)21-17-14-11-9-7-5-6-8-10-12-15-18(22)23/h7,9H,2-6,8,10-17H2,1H3,(H,22,23)(H2,20,21,24)/b9-7-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase expressed in baculovirus system assessed as appearance of 6-methoxynapthaldehyde product by...				J Med Chem 52: 5069-75 (2010) Article DOI: 10.1021/jm900634w BindingDB Entry DOI: 10.7270/Q28915W9
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM8610 (1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...) Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP3A4 expressed in supersomes using 7-benzyloxyquinoline as substrate by fluorescence method				J Med Chem 62: 10124-10143 (2019) Article DOI: 10.1021/acs.jmedchem.9b00952 BindingDB Entry DOI: 10.7270/Q2QF8XB9
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM8610 (1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...) Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP3A4 expressed in supersomes using 7-benzyloxyquinoline as substrate by fluorescence method				J Med Chem 62: 10124-10143 (2019) Article DOI: 10.1021/acs.jmedchem.9b00952 BindingDB Entry DOI: 10.7270/Q2QF8XB9
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50295079 (13-(3-n-Pentylureido)tridec-8-ynoic acid | CHEMBL5...) Show SMILES CCCCCNC(=O)NCCCCC#CCCCCCCC(O)=O Show InChI InChI=1S/C19H34N2O3/c1-2-3-13-16-20-19(24)21-17-14-11-9-7-5-4-6-8-10-12-15-18(22)23/h2-4,6,8-17H2,1H3,(H,22,23)(H2,20,21,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase expressed in baculovirus system assessed as appearance of 6-methoxynapthaldehyde product by...				J Med Chem 52: 5069-75 (2010) Article DOI: 10.1021/jm900634w BindingDB Entry DOI: 10.7270/Q28915W9
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50295099 (13-(3-Pentyluredo)tridec-8(Z)-enoic acid | CHEMBL5...) Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCCC(O)=O Show InChI InChI=1S/C19H36N2O3/c1-2-3-13-16-20-19(24)21-17-14-11-9-7-5-4-6-8-10-12-15-18(22)23/h5,7H,2-4,6,8-17H2,1H3,(H,22,23)(H2,20,21,24)/b7-5-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase expressed in baculovirus system assessed as appearance of 6-methoxynapthaldehyde product by...				J Med Chem 52: 5069-75 (2010) Article DOI: 10.1021/jm900634w BindingDB Entry DOI: 10.7270/Q28915W9
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50295078 (13-(3-n-Pentylureido)tridec-8(E)-enoic acid | CHEM...) Show SMILES CCCCCNC(=O)NCCCC\C=C\CCCCCCC(O)=O Show InChI InChI=1S/C19H36N2O3/c1-2-3-13-16-20-19(24)21-17-14-11-9-7-5-4-6-8-10-12-15-18(22)23/h5,7H,2-4,6,8-17H2,1H3,(H,22,23)(H2,20,21,24)/b7-5+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase expressed in baculovirus system assessed as appearance of 6-methoxynapthaldehyde product by...				J Med Chem 52: 5069-75 (2010) Article DOI: 10.1021/jm900634w BindingDB Entry DOI: 10.7270/Q28915W9
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50295092 (14-(n-Hexylamino)-14-oxotetradec-8(Z)-enoic acid |...) Show SMILES CCCCCCNC(=O)CCCC\C=C/CCCCCCC(O)=O Show InChI InChI=1S/C20H37NO3/c1-2-3-4-15-18-21-19(22)16-13-11-9-7-5-6-8-10-12-14-17-20(23)24/h5,7H,2-4,6,8-18H2,1H3,(H,21,22)(H,23,24)/b7-5-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase expressed in baculovirus system assessed as appearance of 6-methoxynapthaldehyde product by...				J Med Chem 52: 5069-75 (2010) Article DOI: 10.1021/jm900634w BindingDB Entry DOI: 10.7270/Q28915W9
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50295100 (13-(1-Methyl-3-n-pentylureido)tridec-8(Z)-enoic Ac...) Show SMILES CCCCCNC(=O)N(C)CCCC\C=C/CCCCCCC(O)=O Show InChI InChI=1S/C20H38N2O3/c1-3-4-14-17-21-20(25)22(2)18-15-12-10-8-6-5-7-9-11-13-16-19(23)24/h6,8H,3-5,7,9-18H2,1-2H3,(H,21,25)(H,23,24)/b8-6-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	71.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase expressed in baculovirus system assessed as appearance of 6-methoxynapthaldehyde product by...				J Med Chem 52: 5069-75 (2010) Article DOI: 10.1021/jm900634w BindingDB Entry DOI: 10.7270/Q28915W9
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50295088 (13-n-Heptanamidotridec-8(Z)-enoic acid | CHEMBL560...) Show SMILES CCCCCCC(=O)NCCCC\C=C/CCCCCCC(O)=O Show InChI InChI=1S/C20H37NO3/c1-2-3-4-13-16-19(22)21-18-15-12-10-8-6-5-7-9-11-14-17-20(23)24/h6,8H,2-5,7,9-18H2,1H3,(H,21,22)(H,23,24)/b8-6-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase expressed in baculovirus system assessed as appearance of 6-methoxynapthaldehyde product by...				J Med Chem 52: 5069-75 (2010) Article DOI: 10.1021/jm900634w BindingDB Entry DOI: 10.7270/Q28915W9
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50295083 (CHEMBL555832 | Methyl 14-(3-n-butylureido)tetradec...) Show SMILES CCCCNC(=O)NCCCCC\C=C/CCCCCCC(=O)OC Show InChI InChI=1S/C20H38N2O3/c1-3-4-17-21-20(24)22-18-15-13-11-9-7-5-6-8-10-12-14-16-19(23)25-2/h5,7H,3-4,6,8-18H2,1-2H3,(H2,21,22,24)/b7-5-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	152	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase expressed in baculovirus system assessed as appearance of 6-methoxynapthaldehyde product by...				J Med Chem 52: 5069-75 (2010) Article DOI: 10.1021/jm900634w BindingDB Entry DOI: 10.7270/Q28915W9
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50531003 (CHEMBL4463477) Show SMILES CNC(=O)C(=O)NCCCC\C=C/CCCCCCCCCc1nnn[nH]1 Show InChI InChI=1S/C19H34N6O2/c1-20-18(26)19(27)21-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-22-24-25-23-17/h6,8H,2-5,7,9-16H2,1H3,(H,20,26)(H,21,27)(H,22,23,24,25)/b8-6-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Curated by ChEMBL					Assay Description Inhibition of human CYP2C19 by fluorescence method				J Med Chem 62: 10124-10143 (2019) Article DOI: 10.1021/acs.jmedchem.9b00952 BindingDB Entry DOI: 10.7270/Q2QF8XB9
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50531003 (CHEMBL4463477) Show SMILES CNC(=O)C(=O)NCCCC\C=C/CCCCCCCCCc1nnn[nH]1 Show InChI InChI=1S/C19H34N6O2/c1-20-18(26)19(27)21-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-22-24-25-23-17/h6,8H,2-5,7,9-16H2,1H3,(H,20,26)(H,21,27)(H,22,23,24,25)/b8-6-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Curated by ChEMBL					Assay Description Inhibition of human CYP2C19 by fluorescence method				J Med Chem 62: 10124-10143 (2019) Article DOI: 10.1021/acs.jmedchem.9b00952 BindingDB Entry DOI: 10.7270/Q2QF8XB9
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50295091 (13-n-Heptanamidotridec-5-ynoic acid | CHEMBL550898) Show SMILES CCCCCCC(=O)NCCCCCCCC#CCCCC(O)=O Show InChI InChI=1S/C20H35NO3/c1-2-3-4-13-16-19(22)21-18-15-12-10-8-6-5-7-9-11-14-17-20(23)24/h2-6,8,10-18H2,1H3,(H,21,22)(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	272	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase expressed in baculovirus system assessed as appearance of 6-methoxynapthaldehyde product by...				J Med Chem 52: 5069-75 (2010) Article DOI: 10.1021/jm900634w BindingDB Entry DOI: 10.7270/Q28915W9
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50090677 (4-Amino-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfon...) Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1ccnn1-c1ccccc1 Show InChI InChI=1S/C15H14N4O2S/c16-12-6-8-14(9-7-12)22(20,21)18-15-10-11-17-19(15)13-4-2-1-3-5-13/h1-11,18H,16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Curated by ChEMBL					Assay Description Inhibition of human CYP2C9 by fluorescence method				J Med Chem 62: 10124-10143 (2019) Article DOI: 10.1021/acs.jmedchem.9b00952 BindingDB Entry DOI: 10.7270/Q2QF8XB9
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50090677 (4-Amino-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfon...) Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1ccnn1-c1ccccc1 Show InChI InChI=1S/C15H14N4O2S/c16-12-6-8-14(9-7-12)22(20,21)18-15-10-11-17-19(15)13-4-2-1-3-5-13/h1-11,18H,16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Curated by ChEMBL					Assay Description Inhibition of human CYP2C9 by fluorescence method				J Med Chem 62: 10124-10143 (2019) Article DOI: 10.1021/acs.jmedchem.9b00952 BindingDB Entry DOI: 10.7270/Q2QF8XB9
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50295096 (CHEMBL559451 | Methyl 13-(5-n-pentyl-4,5-dihydro-o...) Show SMILES CCCCCC1CN=C(CCCC\C=C/CCCCCCC(=O)OC)O1 |t:7| Show InChI InChI=1S/C22H39NO3/c1-3-4-13-16-20-19-23-21(26-20)17-14-11-9-7-5-6-8-10-12-15-18-22(24)25-2/h5,7,20H,3-4,6,8-19H2,1-2H3/b7-5-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	688	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase expressed in baculovirus system assessed as appearance of 6-methoxynapthaldehyde product by...				J Med Chem 52: 5069-75 (2010) Article DOI: 10.1021/jm900634w BindingDB Entry DOI: 10.7270/Q28915W9
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50295075 (13-(3-n-Pentylthioureido)tridec-8(Z)-enoic Acid | ...) Show SMILES CCCCCNC(=S)NCCCC\C=C/CCCCCCC(O)=O Show InChI InChI=1S/C19H36N2O2S/c1-2-3-13-16-20-19(24)21-17-14-11-9-7-5-4-6-8-10-12-15-18(22)23/h5,7H,2-4,6,8-17H2,1H3,(H,22,23)(H2,20,21,24)/b7-5-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase expressed in baculovirus system assessed as appearance of 6-methoxynapthaldehyde product by...				J Med Chem 52: 5069-75 (2010) Article DOI: 10.1021/jm900634w BindingDB Entry DOI: 10.7270/Q28915W9
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50295080 (13-(3-n-Pentylureido)tridec-5(Z)-enoic acid | CHEM...) Show SMILES CCCCCNC(=O)NCCCCCCC\C=C/CCCC(O)=O Show InChI InChI=1S/C19H36N2O3/c1-2-3-13-16-20-19(24)21-17-14-11-9-7-5-4-6-8-10-12-15-18(22)23/h6,8H,2-5,7,9-17H2,1H3,(H,22,23)(H2,20,21,24)/b8-6-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	793	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase expressed in baculovirus system assessed as appearance of 6-methoxynapthaldehyde product by...				J Med Chem 52: 5069-75 (2010) Article DOI: 10.1021/jm900634w BindingDB Entry DOI: 10.7270/Q28915W9
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50295097 (9-(3-n-Pentylureido)non-4(Z)-enoic acid | CHEMBL55...) Show SMILES CCCCCNC(=O)NCCCC\C=C/CCC(O)=O Show InChI InChI=1S/C15H28N2O3/c1-2-3-9-12-16-15(20)17-13-10-7-5-4-6-8-11-14(18)19/h4,6H,2-3,5,7-13H2,1H3,(H,18,19)(H2,16,17,20)/b6-4-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase expressed in baculovirus system assessed as appearance of 6-methoxynapthaldehyde product by...				J Med Chem 52: 5069-75 (2010) Article DOI: 10.1021/jm900634w BindingDB Entry DOI: 10.7270/Q28915W9
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50295085 (12-(3-n-Pentylureidooxy)dodec-8(Z)-enoic acid | CH...) Show SMILES CCCCCNC(=O)NOCCC\C=C/CCCCCCC(O)=O Show InChI InChI=1S/C18H34N2O4/c1-2-3-12-15-19-18(23)20-24-16-13-10-8-6-4-5-7-9-11-14-17(21)22/h6,8H,2-5,7,9-16H2,1H3,(H,21,22)(H2,19,20,23)/b8-6-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase expressed in baculovirus system assessed as appearance of 6-methoxynapthaldehyde product by...				J Med Chem 52: 5069-75 (2010) Article DOI: 10.1021/jm900634w BindingDB Entry DOI: 10.7270/Q28915W9
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50295073 (13-(3-Methyl-3-n-pentylureido)tridec-8(Z)-enoic ac...) Show SMILES CCCCCN(C)C(=O)NCCCC\C=C/CCCCCCC(O)=O Show InChI InChI=1S/C20H38N2O3/c1-3-4-15-18-22(2)20(25)21-17-14-12-10-8-6-5-7-9-11-13-16-19(23)24/h6,8H,3-5,7,9-18H2,1-2H3,(H,21,25)(H,23,24)/b8-6-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase expressed in baculovirus system assessed as appearance of 6-methoxynapthaldehyde product by...				J Med Chem 52: 5069-75 (2010) Article DOI: 10.1021/jm900634w BindingDB Entry DOI: 10.7270/Q28915W9
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50295084 (16-(3-Ethylureido)hexadec-11(Z)-enoic acid | CHEMB...) Show SMILES CCNC(=O)NCCCC\C=C/CCCCCCCCCC(O)=O Show InChI InChI=1S/C19H36N2O3/c1-2-20-19(24)21-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(22)23/h7,9H,2-6,8,10-17H2,1H3,(H,22,23)(H2,20,21,24)/b9-7-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase expressed in baculovirus system assessed as appearance of 6-methoxynapthaldehyde product by...				J Med Chem 52: 5069-75 (2010) Article DOI: 10.1021/jm900634w BindingDB Entry DOI: 10.7270/Q28915W9
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50240772 ((1R,2S)-(-)-2-phenylcyclopropylamine | (1R,2S)-2-p...) Show SMILES N[C@@H]1C[C@H]1c1ccccc1 |r| Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Curated by ChEMBL					Assay Description Inhibition of human CYP2C19 by fluorescence method				J Med Chem 62: 10124-10143 (2019) Article DOI: 10.1021/acs.jmedchem.9b00952 BindingDB Entry DOI: 10.7270/Q2QF8XB9
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50240772 ((1R,2S)-(-)-2-phenylcyclopropylamine | (1R,2S)-2-p...) Show SMILES N[C@@H]1C[C@H]1c1ccccc1 |r| Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Curated by ChEMBL					Assay Description Inhibition of human CYP2C19 by fluorescence method				J Med Chem 62: 10124-10143 (2019) Article DOI: 10.1021/acs.jmedchem.9b00952 BindingDB Entry DOI: 10.7270/Q2QF8XB9
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50295076 (13-(n-Pentyloxycarbonylamino)tridec-8(Z)-enoic aci...) Show SMILES CCCCCOC(=O)NCCCC\C=C/CCCCCCC(O)=O Show InChI InChI=1S/C19H35NO4/c1-2-3-14-17-24-19(23)20-16-13-11-9-7-5-4-6-8-10-12-15-18(21)22/h5,7H,2-4,6,8-17H2,1H3,(H,20,23)(H,21,22)/b7-5-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase expressed in baculovirus system assessed as appearance of 6-methoxynapthaldehyde product by...				J Med Chem 52: 5069-75 (2010) Article DOI: 10.1021/jm900634w BindingDB Entry DOI: 10.7270/Q28915W9
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50565837 (CHEMBL4787795) Show SMILES [H][C@@]12C[C@]1(NC(=O)[C@]1([H])C[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](CC)C[C@H](C)CC\C=C/2)Oc1nccc2cc(OC)c(F)cc12)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:37| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CYP3A4 in human pooled liver microsomes in presence of midazolam as substrate preincubated for 30 mins in presence of NADPH follo...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01296 BindingDB Entry DOI: 10.7270/Q27D2ZWX
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50565837 (CHEMBL4787795) Show SMILES [H][C@@]12C[C@]1(NC(=O)[C@]1([H])C[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](CC)C[C@H](C)CC\C=C/2)Oc1nccc2cc(OC)c(F)cc12)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:37| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CYP3A4 in human pooled liver microsomes in presence of testosterone as substrate preincubated for 30 mins in presence of NADPH fo...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01296 BindingDB Entry DOI: 10.7270/Q27D2ZWX
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50295077 (13-(n-Pentylcarbamoyloxy)tridec-8(Z)-enoic acid | ...) Show SMILES CCCCCNC(=O)OCCCC\C=C/CCCCCCC(O)=O Show InChI InChI=1S/C19H35NO4/c1-2-3-13-16-20-19(23)24-17-14-11-9-7-5-4-6-8-10-12-15-18(21)22/h5,7H,2-4,6,8-17H2,1H3,(H,20,23)(H,21,22)/b7-5-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase expressed in baculovirus system assessed as appearance of 6-methoxynapthaldehyde product by...				J Med Chem 52: 5069-75 (2010) Article DOI: 10.1021/jm900634w BindingDB Entry DOI: 10.7270/Q28915W9
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50531003 (CHEMBL4463477) Show SMILES CNC(=O)C(=O)NCCCC\C=C/CCCCCCCCCc1nnn[nH]1 Show InChI InChI=1S/C19H34N6O2/c1-20-18(26)19(27)21-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-22-24-25-23-17/h6,8H,2-5,7,9-16H2,1H3,(H,20,26)(H,21,27)(H,22,23,24,25)/b8-6-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP3A4 expressed in supersomes using 7-benzyloxyquinoline as substrate by fluorescence method				J Med Chem 62: 10124-10143 (2019) Article DOI: 10.1021/acs.jmedchem.9b00952 BindingDB Entry DOI: 10.7270/Q2QF8XB9
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50531003 (CHEMBL4463477) Show SMILES CNC(=O)C(=O)NCCCC\C=C/CCCCCCCCCc1nnn[nH]1 Show InChI InChI=1S/C19H34N6O2/c1-20-18(26)19(27)21-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-22-24-25-23-17/h6,8H,2-5,7,9-16H2,1H3,(H,20,26)(H,21,27)(H,22,23,24,25)/b8-6-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP3A4 expressed in supersomes using 7-benzyloxyquinoline as substrate by fluorescence method				J Med Chem 62: 10124-10143 (2019) Article DOI: 10.1021/acs.jmedchem.9b00952 BindingDB Entry DOI: 10.7270/Q2QF8XB9
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50531003 (CHEMBL4463477) Show SMILES CNC(=O)C(=O)NCCCC\C=C/CCCCCCCCCc1nnn[nH]1 Show InChI InChI=1S/C19H34N6O2/c1-20-18(26)19(27)21-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-22-24-25-23-17/h6,8H,2-5,7,9-16H2,1H3,(H,20,26)(H,21,27)(H,22,23,24,25)/b8-6-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Curated by ChEMBL					Assay Description Inhibition of human CYP2C9 by fluorescence method				J Med Chem 62: 10124-10143 (2019) Article DOI: 10.1021/acs.jmedchem.9b00952 BindingDB Entry DOI: 10.7270/Q2QF8XB9
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50531003 (CHEMBL4463477) Show SMILES CNC(=O)C(=O)NCCCC\C=C/CCCCCCCCCc1nnn[nH]1 Show InChI InChI=1S/C19H34N6O2/c1-20-18(26)19(27)21-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-22-24-25-23-17/h6,8H,2-5,7,9-16H2,1H3,(H,20,26)(H,21,27)(H,22,23,24,25)/b8-6-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Curated by ChEMBL					Assay Description Inhibition of human CYP2C9 by fluorescence method				J Med Chem 62: 10124-10143 (2019) Article DOI: 10.1021/acs.jmedchem.9b00952 BindingDB Entry DOI: 10.7270/Q2QF8XB9
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50236897 (3-(furan-2-ylmethyl)-1,8-dimethyl-1H-purine-2,6(3H...) Show SMILES Cc1nc2n(Cc3ccco3)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C12H12N4O3/c1-7-13-9-10(14-7)16(6-8-4-3-5-19-8)12(18)15(2)11(9)17/h3-5H,6H2,1-2H3,(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Curated by ChEMBL					Assay Description Inhibition of human CYP1A2 by fluorescence method				J Med Chem 62: 10124-10143 (2019) Article DOI: 10.1021/acs.jmedchem.9b00952 BindingDB Entry DOI: 10.7270/Q2QF8XB9
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50236897 (3-(furan-2-ylmethyl)-1,8-dimethyl-1H-purine-2,6(3H...) Show SMILES Cc1nc2n(Cc3ccco3)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C12H12N4O3/c1-7-13-9-10(14-7)16(6-8-4-3-5-19-8)12(18)15(2)11(9)17/h3-5H,6H2,1-2H3,(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Curated by ChEMBL					Assay Description Inhibition of human CYP1A2 by fluorescence method				J Med Chem 62: 10124-10143 (2019) Article DOI: 10.1021/acs.jmedchem.9b00952 BindingDB Entry DOI: 10.7270/Q2QF8XB9
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50240772 ((1R,2S)-(-)-2-phenylcyclopropylamine | (1R,2S)-2-p...) Show SMILES N[C@@H]1C[C@H]1c1ccccc1 |r| Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Curated by ChEMBL					Assay Description Inhibition of human CYP2B6 by fluorescence method				J Med Chem 62: 10124-10143 (2019) Article DOI: 10.1021/acs.jmedchem.9b00952 BindingDB Entry DOI: 10.7270/Q2QF8XB9
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50240772 ((1R,2S)-(-)-2-phenylcyclopropylamine | (1R,2S)-2-p...) Show SMILES N[C@@H]1C[C@H]1c1ccccc1 |r| Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Curated by ChEMBL					Assay Description Inhibition of human CYP2B6 by fluorescence method				J Med Chem 62: 10124-10143 (2019) Article DOI: 10.1021/acs.jmedchem.9b00952 BindingDB Entry DOI: 10.7270/Q2QF8XB9
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM7460 (2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...) Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Curated by ChEMBL					Assay Description Inhibition of human CYP2C8 by fluorescence method				J Med Chem 62: 10124-10143 (2019) Article DOI: 10.1021/acs.jmedchem.9b00952 BindingDB Entry DOI: 10.7270/Q2QF8XB9
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM7460 (2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...) Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Curated by ChEMBL					Assay Description Inhibition of human CYP2C8 by fluorescence method				J Med Chem 62: 10124-10143 (2019) Article DOI: 10.1021/acs.jmedchem.9b00952 BindingDB Entry DOI: 10.7270/Q2QF8XB9
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50295095 (13-(5-n-Pentylfuran-2-yl)tridec-8(Z)-enoic acid | ...) Show SMILES CCCCCc1ccc(CCCC\C=C/CCCCCCC(O)=O)o1 Show InChI InChI=1S/C22H36O3/c1-2-3-12-15-20-18-19-21(25-20)16-13-10-8-6-4-5-7-9-11-14-17-22(23)24/h4,6,18-19H,2-3,5,7-17H2,1H3,(H,23,24)/b6-4-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase expressed in baculovirus system assessed as appearance of 6-methoxynapthaldehyde product by...				J Med Chem 52: 5069-75 (2010) Article DOI: 10.1021/jm900634w BindingDB Entry DOI: 10.7270/Q28915W9
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50295098 (9-(3-n-Pentylureido)non-4-ynoic acid | CHEMBL55190...) Show SMILES CCCCCNC(=O)NCCCCC#CCCC(O)=O Show InChI InChI=1S/C15H26N2O3/c1-2-3-9-12-16-15(20)17-13-10-7-5-4-6-8-11-14(18)19/h2-3,5,7-13H2,1H3,(H,18,19)(H2,16,17,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase expressed in baculovirus system assessed as appearance of 6-methoxynapthaldehyde product by...				J Med Chem 52: 5069-75 (2010) Article DOI: 10.1021/jm900634w BindingDB Entry DOI: 10.7270/Q28915W9
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50295074 (13-(1,3-Dimethyl-3-n-pentylureido)tridec-8(Z)-enoi...) Show SMILES CCCCCN(C)C(=O)N(C)CCCC\C=C/CCCCCCC(O)=O Show InChI InChI=1S/C21H40N2O3/c1-4-5-15-18-22(2)21(26)23(3)19-16-13-11-9-7-6-8-10-12-14-17-20(24)25/h7,9H,4-6,8,10-19H2,1-3H3,(H,24,25)/b9-7-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase expressed in baculovirus system assessed as appearance of 6-methoxynapthaldehyde product by...				J Med Chem 52: 5069-75 (2010) Article DOI: 10.1021/jm900634w BindingDB Entry DOI: 10.7270/Q28915W9
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50295090 (13-(N-Isopropylheptanamido)tridec-8(Z)-enoic acid ...) Show SMILES CCCCCCC(=O)N(CCCC\C=C/CCCCCCC(O)=O)C(C)C Show InChI InChI=1S/C23H43NO3/c1-4-5-6-15-18-22(25)24(21(2)3)20-17-14-12-10-8-7-9-11-13-16-19-23(26)27/h8,10,21H,4-7,9,11-20H2,1-3H3,(H,26,27)/b10-8-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase expressed in baculovirus system assessed as appearance of 6-methoxynapthaldehyde product by...				J Med Chem 52: 5069-75 (2010) Article DOI: 10.1021/jm900634w BindingDB Entry DOI: 10.7270/Q28915W9
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50295081 (13-(1,3-Dimethyl-3-n-pentylureido)tridec-5-ynoic a...) Show SMILES CCCCCN(C)C(=O)N(C)CCCCCCCC#CCCCC(O)=O Show InChI InChI=1S/C21H38N2O3/c1-4-5-15-18-22(2)21(26)23(3)19-16-13-11-9-7-6-8-10-12-14-17-20(24)25/h4-7,9,11-19H2,1-3H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase expressed in baculovirus system assessed as appearance of 6-methoxynapthaldehyde product by...				J Med Chem 52: 5069-75 (2010) Article DOI: 10.1021/jm900634w BindingDB Entry DOI: 10.7270/Q28915W9
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50295089 (13-(N-Methyl-n-heptnamido)tridec-8(Z)-enoic acid |...) Show SMILES CCCCCCC(=O)N(C)CCCC\C=C/CCCCCCC(O)=O Show InChI InChI=1S/C21H39NO3/c1-3-4-5-14-17-20(23)22(2)19-16-13-11-9-7-6-8-10-12-15-18-21(24)25/h7,9H,3-6,8,10-19H2,1-2H3,(H,24,25)/b9-7-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase expressed in baculovirus system assessed as appearance of 6-methoxynapthaldehyde product by...				J Med Chem 52: 5069-75 (2010) Article DOI: 10.1021/jm900634w BindingDB Entry DOI: 10.7270/Q28915W9
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50295093 (14-(n-Hexyl(methyl)amino)-14-oxotetradec-8(Z)-enoi...) Show SMILES CCCCCCN(C)C(=O)CCCC\C=C/CCCCCCC(O)=O Show InChI InChI=1S/C21H39NO3/c1-3-4-5-16-19-22(2)20(23)17-14-12-10-8-6-7-9-11-13-15-18-21(24)25/h6,8H,3-5,7,9-19H2,1-2H3,(H,24,25)/b8-6-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase expressed in baculovirus system assessed as appearance of 6-methoxynapthaldehyde product by...				J Med Chem 52: 5069-75 (2010) Article DOI: 10.1021/jm900634w BindingDB Entry DOI: 10.7270/Q28915W9
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50565837 (CHEMBL4787795) Show SMILES [H][C@@]12C[C@]1(NC(=O)[C@]1([H])C[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](CC)C[C@H](C)CC\C=C/2)Oc1nccc2cc(OC)c(F)cc12)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:37| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.64E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CYP3A4 in human pooled liver microsomes in presence of midazolam as substrate preincubated for 30 mins in presence of NADPH follo...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01296 BindingDB Entry DOI: 10.7270/Q27D2ZWX
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50295087 (13-(2-(n-Butyl(methyl)amino)-N-methyl-2-oxoacetami...) Show SMILES CCCCN(C)C(=O)C(=O)N(C)CCCC\C=C/CCCCCCC(O)=O Show InChI InChI=1S/C21H38N2O4/c1-4-5-17-22(2)20(26)21(27)23(3)18-15-13-11-9-7-6-8-10-12-14-16-19(24)25/h7,9H,4-6,8,10-18H2,1-3H3,(H,24,25)/b9-7-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.76E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase expressed in baculovirus system assessed as appearance of 6-methoxynapthaldehyde product by...				J Med Chem 52: 5069-75 (2010) Article DOI: 10.1021/jm900634w BindingDB Entry DOI: 10.7270/Q28915W9
					More data for this Ligand-Target Pair

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