Compile Data Set for Download or QSAR

Found 18 hits with Last Name = 'thorlaksdottir' and Initial = 'a'   

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
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50303652 (1-(4-Phenoxyphenyl)piperazine | CHEMBL576512) Show SMILES C1CN(CCN1)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C16H18N2O/c1-2-4-15(5-3-1)19-16-8-6-14(7-9-16)18-12-10-17-11-13-18/h1-9,17H,10-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
deCODE Chemistry, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant LTA4H hydrolysis assessed as inhibition of LTB4 formation by LC-MS/MS				J Med Chem 53: 573-85 (2010) Checked by Author Article DOI: 10.1021/jm900838g BindingDB Entry DOI: 10.7270/Q22F7NJD
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50303656 ((R)-2-[4-(4-Thiophen-3-yl-benzyl)phenoxymethyl]pyr...) Show SMILES C(Oc1ccc(Cc2ccc(cc2)-c2ccsc2)cc1)[C@H]1CCCN1 |r| Show InChI InChI=1S/C22H23NOS/c1-2-21(23-12-1)15-24-22-9-5-18(6-10-22)14-17-3-7-19(8-4-17)20-11-13-25-16-20/h3-11,13,16,21,23H,1-2,12,14-15H2/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
deCODE Chemistry, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant LTA4H hydrolysis assessed as inhibition of LTB4 formation by LC-MS/MS				J Med Chem 53: 573-85 (2010) Checked by Author Article DOI: 10.1021/jm900838g BindingDB Entry DOI: 10.7270/Q22F7NJD
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50303657 (3-{(R)-2-[4-(4-Chlorophenoxy)phenoxymethyl]pyrroli...) Show SMILES OC(=O)CCN1CCC[C@@H]1COc1ccc(Oc2ccc(Cl)cc2)cc1 |r| Show InChI InChI=1S/C20H22ClNO4/c21-15-3-5-18(6-4-15)26-19-9-7-17(8-10-19)25-14-16-2-1-12-22(16)13-11-20(23)24/h3-10,16H,1-2,11-14H2,(H,23,24)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
deCODE Chemistry, Inc. Curated by ChEMBL					Assay Description Inhibition of human LTA4H hydrolysis assessed as inhibition of Ca2+ ionophore-stimulated LTB4 formation in human whole blood by ELISA				J Med Chem 53: 573-85 (2010) Checked by Author Article DOI: 10.1021/jm900838g BindingDB Entry DOI: 10.7270/Q22F7NJD
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50303650 ((R)-2-[4-(4-Chlorophenoxy)phenoxymethyl]pyrrolidin...) Show SMILES Clc1ccc(Oc2ccc(OC[C@H]3CCCN3)cc2)cc1 |r| Show InChI InChI=1S/C17H18ClNO2/c18-13-3-5-16(6-4-13)21-17-9-7-15(8-10-17)20-12-14-2-1-11-19-14/h3-10,14,19H,1-2,11-12H2/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
deCODE Chemistry, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant LTA4H hydrolysis assessed as inhibition of LTB4 formation by LC-MS/MS				J Med Chem 53: 573-85 (2010) Checked by Author Article DOI: 10.1021/jm900838g BindingDB Entry DOI: 10.7270/Q22F7NJD
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50294161 ((R)-4-(2-((4-(4-chlorophenoxy)phenoxy)methyl)pyrro...) Show SMILES OC(=O)CCCN1CCC[C@@H]1COc1ccc(Oc2ccc(Cl)cc2)cc1 |r| Show InChI InChI=1S/C21H24ClNO4/c22-16-5-7-19(8-6-16)27-20-11-9-18(10-12-20)26-15-17-3-1-13-23(17)14-2-4-21(24)25/h5-12,17H,1-4,13-15H2,(H,24,25)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
deCODE Chemistry, Inc. Curated by ChEMBL					Assay Description Inhibition of human LTA4H hydrolysis assessed as inhibition of Ca2+ ionophore-stimulated LTB4 formation in human whole blood by ELISA				J Med Chem 53: 573-85 (2010) Checked by Author Article DOI: 10.1021/jm900838g BindingDB Entry DOI: 10.7270/Q22F7NJD
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50303649 (4-{(S)-2-[4-(4-Chlorophenoxy)phenoxymethyl]pyrroli...) Show SMILES OC(=O)CCCN1CCC[C@H]1COc1ccc(Oc2ccc(Cl)cc2)cc1 |r| Show InChI InChI=1S/C21H24ClNO4/c22-16-5-7-19(8-6-16)27-20-11-9-18(10-12-20)26-15-17-3-1-13-23(17)14-2-4-21(24)25/h5-12,17H,1-4,13-15H2,(H,24,25)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
deCODE Chemistry, Inc. Curated by ChEMBL					Assay Description Inhibition of human LTA4H hydrolysis assessed as inhibition of Ca2+ ionophore-stimulated LTB4 formation in human whole blood by ELISA				J Med Chem 53: 573-85 (2010) Checked by Author Article DOI: 10.1021/jm900838g BindingDB Entry DOI: 10.7270/Q22F7NJD
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50303649 (4-{(S)-2-[4-(4-Chlorophenoxy)phenoxymethyl]pyrroli...) Show SMILES OC(=O)CCCN1CCC[C@H]1COc1ccc(Oc2ccc(Cl)cc2)cc1 |r| Show InChI InChI=1S/C21H24ClNO4/c22-16-5-7-19(8-6-16)27-20-11-9-18(10-12-20)26-15-17-3-1-13-23(17)14-2-4-21(24)25/h5-12,17H,1-4,13-15H2,(H,24,25)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
deCODE Chemistry, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant LTA4H hydrolysis assessed as inhibition of LTB4 formation by LC-MS/MS				J Med Chem 53: 573-85 (2010) Checked by Author Article DOI: 10.1021/jm900838g BindingDB Entry DOI: 10.7270/Q22F7NJD
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50303648 ((2R)-2-[(4-benzylphenoxy)methyl]pyrrolidine | (R)-...) Show SMILES C(Oc1ccc(Cc2ccccc2)cc1)[C@H]1CCCN1 |r| Show InChI InChI=1S/C18H21NO/c1-2-5-15(6-3-1)13-16-8-10-18(11-9-16)20-14-17-7-4-12-19-17/h1-3,5-6,8-11,17,19H,4,7,12-14H2/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
deCODE Chemistry, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant LTA4H hydrolysis assessed as inhibition of LTB4 formation by LC-MS/MS				J Med Chem 53: 573-85 (2010) Checked by Author Article DOI: 10.1021/jm900838g BindingDB Entry DOI: 10.7270/Q22F7NJD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50303658 ((2S)-2-[(4-Benzylphenoxy)methyl]pyrrolidine | CHEM...) Show SMILES C(Oc1ccc(Cc2ccccc2)cc1)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C18H21NO/c1-2-5-15(6-3-1)13-16-8-10-18(11-9-16)20-14-17-7-4-12-19-17/h1-3,5-6,8-11,17,19H,4,7,12-14H2/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	244	n/a	n/a	n/a	n/a	n/a	n/a
deCODE Chemistry, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant LTA4H hydrolysis assessed as inhibition of LTB4 formation by LC-MS/MS				J Med Chem 53: 573-85 (2010) Checked by Author Article DOI: 10.1021/jm900838g BindingDB Entry DOI: 10.7270/Q22F7NJD
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50303651 (1-[4-(4-Iodophenoxy)phenyl]piperazine | CHEMBL5672...) Show SMILES Ic1ccc(Oc2ccc(cc2)N2CCNCC2)cc1 Show InChI InChI=1S/C16H17IN2O/c17-13-1-5-15(6-2-13)20-16-7-3-14(4-8-16)19-11-9-18-10-12-19/h1-8,18H,9-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
deCODE Chemistry, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant LTA4H hydrolysis assessed as inhibition of LTB4 formation by LC-MS/MS				J Med Chem 53: 573-85 (2010) Checked by Author Article DOI: 10.1021/jm900838g BindingDB Entry DOI: 10.7270/Q22F7NJD
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50303648 ((2R)-2-[(4-benzylphenoxy)methyl]pyrrolidine | (R)-...) Show SMILES C(Oc1ccc(Cc2ccccc2)cc1)[C@H]1CCCN1 |r| Show InChI InChI=1S/C18H21NO/c1-2-5-15(6-3-1)13-16-8-10-18(11-9-16)20-14-17-7-4-12-19-17/h1-3,5-6,8-11,17,19H,4,7,12-14H2/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	449	n/a	n/a	n/a	n/a	n/a	n/a
deCODE Chemistry, Inc. Curated by ChEMBL					Assay Description Inhibition of human LTA4H hydrolysis assessed as inhibition of Ca2+ ionophore-stimulated LTB4 formation in human whole blood by ELISA				J Med Chem 53: 573-85 (2010) Checked by Author Article DOI: 10.1021/jm900838g BindingDB Entry DOI: 10.7270/Q22F7NJD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50303650 ((R)-2-[4-(4-Chlorophenoxy)phenoxymethyl]pyrrolidin...) Show SMILES Clc1ccc(Oc2ccc(OC[C@H]3CCCN3)cc2)cc1 |r| Show InChI InChI=1S/C17H18ClNO2/c18-13-3-5-16(6-4-13)21-17-9-7-15(8-10-17)20-12-14-2-1-11-19-14/h3-10,14,19H,1-2,11-12H2/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	533	n/a	n/a	n/a	n/a	n/a	n/a
deCODE Chemistry, Inc. Curated by ChEMBL					Assay Description Inhibition of human LTA4H hydrolysis assessed as inhibition of Ca2+ ionophore-stimulated LTB4 formation in human whole blood by ELISA				J Med Chem 53: 573-85 (2010) Checked by Author Article DOI: 10.1021/jm900838g BindingDB Entry DOI: 10.7270/Q22F7NJD
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50303653 (4-[2-(4-Benzylphenoxy)ethyl]pyridine | CHEMBL57813...) Show SMILES C(Cc1ccncc1)Oc1ccc(Cc2ccccc2)cc1 Show InChI InChI=1S/C20H19NO/c1-2-4-18(5-3-1)16-19-6-8-20(9-7-19)22-15-12-17-10-13-21-14-11-17/h1-11,13-14H,12,15-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
deCODE Chemistry, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant LTA4H hydrolysis assessed as inhibition of LTB4 formation by LC-MS/MS				J Med Chem 53: 573-85 (2010) Checked by Author Article DOI: 10.1021/jm900838g BindingDB Entry DOI: 10.7270/Q22F7NJD
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50294165 ((4-(thiophen-2-yl)phenyl)methanamine | 1-(4-thioph...) Show SMILES NCc1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C11H11NS/c12-8-9-3-5-10(6-4-9)11-2-1-7-13-11/h1-7H,8,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	9.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
deCODE Chemistry, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant LTA4H hydrolysis assessed as inhibition of LTB4 formation by LC-MS/MS				J Med Chem 53: 573-85 (2010) Checked by Author Article DOI: 10.1021/jm900838g BindingDB Entry DOI: 10.7270/Q22F7NJD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50303654 (CHEMBL565599 | pyridin-4-yl(4-(2-(pyrrolidin-1-yl)...) Show SMILES O=C(c1ccncc1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C18H20N2O2/c21-18(16-7-9-19-10-8-16)15-3-5-17(6-4-15)22-14-13-20-11-1-2-12-20/h3-10H,1-2,11-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	1.99E+5	n/a	n/a	n/a	n/a	n/a	n/a
deCODE Chemistry, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant LTA4H hydrolysis assessed as inhibition of LTB4 formation by LC-MS/MS				J Med Chem 53: 573-85 (2010) Checked by Author Article DOI: 10.1021/jm900838g BindingDB Entry DOI: 10.7270/Q22F7NJD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50303655 (2-(pyridin-3-ylmethoxy)aniline | CHEMBL566838) Show SMILES Nc1ccccc1OCc1cccnc1 Show InChI InChI=1S/C12H12N2O/c13-11-5-1-2-6-12(11)15-9-10-4-3-7-14-8-10/h1-8H,9,13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	n/a	n/a	>2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
deCODE Chemistry, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant LTA4H hydrolysis assessed as inhibition of LTB4 formation by LC-MS/MS				J Med Chem 53: 573-85 (2010) Checked by Author Article DOI: 10.1021/jm900838g BindingDB Entry DOI: 10.7270/Q22F7NJD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50294173 ((4-fluorophenyl)(pyridin-4-yl)methanone | CHEMBL56...) Show SMILES Fc1ccc(cc1)C(=O)c1ccncc1 Show InChI InChI=1S/C12H8FNO/c13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10/h1-8H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	5.38E+6	n/a	n/a	n/a	n/a	n/a	n/a
deCODE Chemistry, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant LTA4H hydrolysis assessed as inhibition of LTB4 formation by LC-MS/MS				J Med Chem 53: 573-85 (2010) Checked by Author Article DOI: 10.1021/jm900838g BindingDB Entry DOI: 10.7270/Q22F7NJD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50303649 (4-{(S)-2-[4-(4-Chlorophenoxy)phenoxymethyl]pyrroli...) Show SMILES OC(=O)CCCN1CCC[C@H]1COc1ccc(Oc2ccc(Cl)cc2)cc1 |r| Show InChI InChI=1S/C21H24ClNO4/c22-16-5-7-19(8-6-16)27-20-11-9-18(10-12-20)26-15-17-3-1-13-23(17)14-2-4-21(24)25/h5-12,17H,1-4,13-15H2,(H,24,25)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a
deCODE Chemistry, Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant LTA4H by isothermal calorimetry				J Med Chem 53: 573-85 (2010) Checked by Author Article DOI: 10.1021/jm900838g BindingDB Entry DOI: 10.7270/Q22F7NJD
					More data for this Ligand-Target Pair