Compile Data Set for Download or QSAR

Found 353 hits with Last Name = 'highkin' and Initial = 'mk'   

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
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50237417 (CHEMBL4077280) Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CC[C@H](O)C3)cc2)c1 |r| Show InChI InChI=1S/C26H29NO4S/c1-20-13-23(19-32(29,30)26-5-3-2-4-6-26)15-25(14-20)31-18-22-9-7-21(8-10-22)16-27-12-11-24(28)17-27/h2-10,13-15,24,28H,11-12,16-19H2,1H3/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of SPHK1 in human MDA1483 cells using C17-sphingosine as substrate assessed as reduction in C17-S1P formation preincubated for 30 mins wit...				J Med Chem 60: 2562-2572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50237435 (CHEMBL4066270) Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(c2)C2CCCCC2)cc1 |r| Show InChI InChI=1S/C25H33NO2/c27-18-24-9-5-15-26(24)17-20-11-13-21(14-12-20)19-28-25-10-4-8-23(16-25)22-6-2-1-3-7-22/h4,8,10-14,16,22,24,27H,1-3,5-7,9,15,17-19H2/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human progesterone receptor				J Med Chem 60: 2562-2572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50237418 (CHEMBL4061789) Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3C[C@@H](O)[C@H](O)C3)cc2)c1 |r| Show InChI InChI=1S/C26H29NO5S/c1-19-11-22(18-33(30,31)24-5-3-2-4-6-24)13-23(12-19)32-17-21-9-7-20(8-10-21)14-27-15-25(28)26(29)16-27/h2-13,25-26,28-29H,14-18H2,1H3/t25-,26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of SPHK1 in human MDA1483 cells using C17-sphingosine as substrate assessed as reduction in C17-S1P formation preincubated for 30 mins wit...				J Med Chem 60: 2562-2572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50237420 (CHEMBL4090361) Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(CS(=O)(=O)c3ccccc3)c2)cc1 |r| Show InChI InChI=1S/C26H29NO4S/c28-18-24-7-5-15-27(24)17-21-11-13-22(14-12-21)19-31-25-8-4-6-23(16-25)20-32(29,30)26-9-2-1-3-10-26/h1-4,6,8-14,16,24,28H,5,7,15,17-20H2/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of SPHK1 in human MDA1483 cells using C17-sphingosine as substrate assessed as reduction in C17-S1P formation preincubated for 30 mins wit...				J Med Chem 60: 2562-2572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50116537 (3-({3-[4-(Biphenyl-4-yloxy)-phenoxy]-propyl}-methy...) Show SMILES CN(CCCOc1ccc(Oc2ccc(cc2)-c2ccccc2)cc1)CCC(O)=O Show InChI InChI=1S/C25H27NO4/c1-26(18-16-25(27)28)17-5-19-29-22-12-14-24(15-13-22)30-23-10-8-21(9-11-23)20-6-3-2-4-7-20/h2-4,6-15H,5,16-19H2,1H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human whole blood LTB-4 production (Leukotriene B-4).				J Med Chem 45: 3482-90 (2002) BindingDB Entry DOI: 10.7270/Q2DV1KMF
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50237422 (CHEMBL4086094) Show SMILES CC(C)c1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r| Show InChI InChI=1S/C22H29NO2/c1-17(2)20-5-3-7-22(13-20)25-16-19-10-8-18(9-11-19)14-23-12-4-6-21(23)15-24/h3,5,7-11,13,17,21,24H,4,6,12,14-16H2,1-2H3/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of SPHK1 in human MDA1483 cells using C17-sphingosine as substrate assessed as reduction in C17-S1P formation preincubated for 30 mins wit...				J Med Chem 60: 2562-2572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50237435 (CHEMBL4066270) Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(c2)C2CCCCC2)cc1 |r| Show InChI InChI=1S/C25H33NO2/c27-18-24-9-5-15-26(24)17-20-11-13-21(14-12-20)19-28-25-10-4-8-23(16-25)22-6-2-1-3-7-22/h4,8,10-14,16,22,24,27H,1-3,5-7,9,15,17-19H2/t24-/m1/s1	PDB UniProtKB/SwissProt 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
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity at human progesterone receptor.				J Med Chem 60: 2562-2572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50237422 (CHEMBL4086094) Show SMILES CC(C)c1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r| Show InChI InChI=1S/C22H29NO2/c1-17(2)20-5-3-7-22(13-20)25-16-19-10-8-18(9-11-19)14-23-12-4-6-21(23)15-24/h3,5,7-11,13,17,21,24H,4,6,12,14-16H2,1-2H3/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in ADP formation using sphingosine as sub...				J Med Chem 60: 2562-2572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50041978 (CHEMBL3134157) Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r| Show InChI InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of SPHK1 in human MDA1483 cells using C17-sphingosine as substrate assessed as reduction in C17-S1P formation preincubated for 30 mins wit...				J Med Chem 60: 2562-2572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50125433 (1-[2-(4-Benzyl-phenoxy)-ethyl]-1H-imidazo[4,5-b]py...) Show SMILES N#Cc1ccc2n(CCOc3ccc(Cc4ccccc4)cc3)cnc2n1 Show InChI InChI=1S/C22H18N4O/c23-15-19-8-11-21-22(25-19)24-16-26(21)12-13-27-20-9-6-18(7-10-20)14-17-4-2-1-3-5-17/h1-11,16H,12-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro inhibition of recombinant human leukotriene A4 hydrolase.				Bioorg Med Chem Lett 13: 1137-9 (2003) BindingDB Entry DOI: 10.7270/Q2891587
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50237431 (CHEMBL4063424) Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3C[C@H](O)[C@H](O)C3)cc2)c1 |r| Show InChI InChI=1S/C26H29NO5S/c1-19-11-22(18-33(30,31)24-5-3-2-4-6-24)13-23(12-19)32-17-21-9-7-20(8-10-21)14-27-15-25(28)26(29)16-27/h2-13,25-26,28-29H,14-18H2,1H3/t25-,26+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of SPHK1 in human MDA1483 cells using C17-sphingosine as substrate assessed as reduction in C17-S1P formation preincubated for 30 mins wit...				J Med Chem 60: 2562-2572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50116563 (CHEMBL323686 | N-(3-{[3-(4-Benzyl-phenoxy)-propyl]...) Show SMILES CN(CCCOc1ccc(Cc2ccccc2)cc1)CCC(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C26H30N2O4S/c1-28(19-17-26(29)27-33(30,31)25-11-6-3-7-12-25)18-8-20-32-24-15-13-23(14-16-24)21-22-9-4-2-5-10-22/h2-7,9-16H,8,17-21H2,1H3,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human leukotriene A4 hydrolase (LTA-4).				J Med Chem 45: 3482-90 (2002) BindingDB Entry DOI: 10.7270/Q2DV1KMF
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50116562 (CHEMBL117549 | [4-(4-Benzyl-phenoxy)-butylamino]-a...) Show SMILES OC(=O)CNCCCCOc1ccc(Cc2ccccc2)cc1 Show InChI InChI=1S/C19H23NO3/c21-19(22)15-20-12-4-5-13-23-18-10-8-17(9-11-18)14-16-6-2-1-3-7-16/h1-3,6-11,20H,4-5,12-15H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human leukotriene A4 hydrolase (LTA-4).				J Med Chem 45: 3482-90 (2002) BindingDB Entry DOI: 10.7270/Q2DV1KMF
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50116554 (CHEMBL119683 | N-(3-{[3-(4-Benzyl-phenoxy)-propyl]...) Show SMILES CN(CCCOc1ccc(Cc2ccccc2)cc1)CCC(=O)NS(C)(=O)=O Show InChI InChI=1S/C21H28N2O4S/c1-23(15-13-21(24)22-28(2,25)26)14-6-16-27-20-11-9-19(10-12-20)17-18-7-4-3-5-8-18/h3-5,7-12H,6,13-17H2,1-2H3,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human leukotriene A4 hydrolase (LTA-4).				J Med Chem 45: 3482-90 (2002) BindingDB Entry DOI: 10.7270/Q2DV1KMF
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50237435 (CHEMBL4066270) Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(c2)C2CCCCC2)cc1 |r| Show InChI InChI=1S/C25H33NO2/c27-18-24-9-5-15-26(24)17-20-11-13-21(14-12-20)19-28-25-10-4-8-23(16-25)22-6-2-1-3-7-22/h4,8,10-14,16,22,24,27H,1-3,5-7,9,15,17-19H2/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of SPHK1 in human whole-blood using C17-sphingosine as substrate assessed as reduction in C17-S1P production preincubated for 30 mins foll...				J Med Chem 60: 2562-2572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50237422 (CHEMBL4086094) Show SMILES CC(C)c1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r| Show InChI InChI=1S/C22H29NO2/c1-17(2)20-5-3-7-22(13-20)25-16-19-10-8-18(9-11-19)14-23-12-4-6-21(23)15-24/h3,5,7-11,13,17,21,24H,4,6,12,14-16H2,1-2H3/t21-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1.70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of SPHK2 (unknown origin) by FITC-based caliper assay				J Med Chem 60: 2562-2572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50237435 (CHEMBL4066270) Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(c2)C2CCCCC2)cc1 |r| Show InChI InChI=1S/C25H33NO2/c27-18-24-9-5-15-26(24)17-20-11-13-21(14-12-20)19-28-25-10-4-8-23(16-25)22-6-2-1-3-7-22/h4,8,10-14,16,22,24,27H,1-3,5-7,9,15,17-19H2/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1.70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in S1P formation using sphingosine as sub...				J Med Chem 60: 2562-2572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50237421 (CHEMBL4069327) Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(CS(=O)(=O)C3CC3)c2)cc1 |r| Show InChI InChI=1S/C23H29NO4S/c25-15-21-4-2-12-24(21)14-18-6-8-19(9-7-18)16-28-22-5-1-3-20(13-22)17-29(26,27)23-10-11-23/h1,3,5-9,13,21,23,25H,2,4,10-12,14-17H2/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of SPHK1 in human MDA1483 cells using C17-sphingosine as substrate assessed as reduction in C17-S1P formation preincubated for 30 mins wit...				J Med Chem 60: 2562-2572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50237435 (CHEMBL4066270) Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(c2)C2CCCCC2)cc1 |r| Show InChI InChI=1S/C25H33NO2/c27-18-24-9-5-15-26(24)17-20-11-13-21(14-12-20)19-28-25-10-4-8-23(16-25)22-6-2-1-3-7-22/h4,8,10-14,16,22,24,27H,1-3,5-7,9,15,17-19H2/t24-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1.70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of SPHK2 (unknown origin) by FITC-based caliper assay				J Med Chem 60: 2562-2572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50237423 (CHEMBL4104017) Show SMILES Cc1nc(no1)-c1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r| Show InChI InChI=1S/C22H25N3O3/c1-16-23-22(24-28-16)19-4-2-6-21(12-19)27-15-18-9-7-17(8-10-18)13-25-11-3-5-20(25)14-26/h2,4,6-10,12,20,26H,3,5,11,13-15H2,1H3/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of SPHK1 in human MDA1483 cells using C17-sphingosine as substrate assessed as reduction in C17-S1P formation preincubated for 30 mins wit...				J Med Chem 60: 2562-2572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50041978 (CHEMBL3134157) Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r| Show InChI InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in ADP formation using sphingosine as sub...				J Med Chem 60: 2562-2572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50116560 (3-{Methyl-[3-(4-thiophen-3-ylmethyl-phenoxy)-propy...) Show SMILES CN(CCCOc1ccc(Cc2ccsc2)cc1)CCC(O)=O Show InChI InChI=1S/C18H23NO3S/c1-19(10-7-18(20)21)9-2-11-22-17-5-3-15(4-6-17)13-16-8-12-23-14-16/h3-6,8,12,14H,2,7,9-11,13H2,1H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human leukotriene A4 hydrolase (LTA-4).				J Med Chem 45: 3482-90 (2002) BindingDB Entry DOI: 10.7270/Q2DV1KMF
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50237420 (CHEMBL4090361) Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(CS(=O)(=O)c3ccccc3)c2)cc1 |r| Show InChI InChI=1S/C26H29NO4S/c28-18-24-7-5-15-27(24)17-21-11-13-22(14-12-21)19-31-25-8-4-6-23(16-25)20-32(29,30)26-9-2-1-3-10-26/h1-4,6,8-14,16,24,28H,5,7,15,17-20H2/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in ADP formation using sphingosine as sub...				J Med Chem 60: 2562-2572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50237418 (CHEMBL4061789) Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3C[C@@H](O)[C@H](O)C3)cc2)c1 |r| Show InChI InChI=1S/C26H29NO5S/c1-19-11-22(18-33(30,31)24-5-3-2-4-6-24)13-23(12-19)32-17-21-9-7-20(8-10-21)14-27-15-25(28)26(29)16-27/h2-13,25-26,28-29H,14-18H2,1H3/t25-,26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in ADP formation using sphingosine as sub...				J Med Chem 60: 2562-2572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50237418 (CHEMBL4061789) Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3C[C@@H](O)[C@H](O)C3)cc2)c1 |r| Show InChI InChI=1S/C26H29NO5S/c1-19-11-22(18-33(30,31)24-5-3-2-4-6-24)13-23(12-19)32-17-21-9-7-20(8-10-21)14-27-15-25(28)26(29)16-27/h2-13,25-26,28-29H,14-18H2,1H3/t25-,26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in S1P formation using sphingosine as sub...				J Med Chem 60: 2562-2572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50237423 (CHEMBL4104017) Show SMILES Cc1nc(no1)-c1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r| Show InChI InChI=1S/C22H25N3O3/c1-16-23-22(24-28-16)19-4-2-6-21(12-19)27-15-18-9-7-17(8-10-18)13-25-11-3-5-20(25)14-26/h2,4,6-10,12,20,26H,3,5,11,13-15H2,1H3/t20-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of SPHK2 (unknown origin) by FITC-based caliper assay				J Med Chem 60: 2562-2572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50237420 (CHEMBL4090361) Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(CS(=O)(=O)c3ccccc3)c2)cc1 |r| Show InChI InChI=1S/C26H29NO4S/c28-18-24-7-5-15-27(24)17-21-11-13-22(14-12-21)19-31-25-8-4-6-23(16-25)20-32(29,30)26-9-2-1-3-10-26/h1-4,6,8-14,16,24,28H,5,7,15,17-20H2/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in S1P formation using sphingosine as sub...				J Med Chem 60: 2562-2572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50116538 (3-{[3-(4-Benzyl-phenoxy)-propyl]-methyl-amino}-pro...) Show SMILES CN(CCCOc1ccc(Cc2ccccc2)cc1)CCC(O)=O Show InChI InChI=1S/C20H25NO3/c1-21(14-12-20(22)23)13-5-15-24-19-10-8-18(9-11-19)16-17-6-3-2-4-7-17/h2-4,6-11H,5,12-16H2,1H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human leukotriene A4 hydrolase (LTA-4).				J Med Chem 45: 3482-90 (2002) BindingDB Entry DOI: 10.7270/Q2DV1KMF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50116538 (3-{[3-(4-Benzyl-phenoxy)-propyl]-methyl-amino}-pro...) Show SMILES CN(CCCOc1ccc(Cc2ccccc2)cc1)CCC(O)=O Show InChI InChI=1S/C20H25NO3/c1-21(14-12-20(22)23)13-5-15-24-19-10-8-18(9-11-19)16-17-6-3-2-4-7-17/h2-4,6-11H,5,12-16H2,1H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Corporation Curated by ChEMBL					Assay Description Inhibition of leukotriene A4 hydrolase in human recombinant assay				Bioorg Med Chem Lett 12: 3383-6 (2002) BindingDB Entry DOI: 10.7270/Q2N8795W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50237417 (CHEMBL4077280) Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CC[C@H](O)C3)cc2)c1 |r| Show InChI InChI=1S/C26H29NO4S/c1-20-13-23(19-32(29,30)26-5-3-2-4-6-26)15-25(14-20)31-18-22-9-7-21(8-10-22)16-27-12-11-24(28)17-27/h2-10,13-15,24,28H,11-12,16-19H2,1H3/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in S1P formation using sphingosine as sub...				J Med Chem 60: 2562-2572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50041978 (CHEMBL3134157) Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r| Show InChI InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Effective concentration for human progesterone receptor in T47D human breast cancer cell				J Med Chem 60: 2562-2572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50237417 (CHEMBL4077280) Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CC[C@H](O)C3)cc2)c1 |r| Show InChI InChI=1S/C26H29NO4S/c1-20-13-23(19-32(29,30)26-5-3-2-4-6-26)15-25(14-20)31-18-22-9-7-21(8-10-22)16-27-12-11-24(28)17-27/h2-10,13-15,24,28H,11-12,16-19H2,1H3/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in ADP formation using sphingosine as sub...				J Med Chem 60: 2562-2572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50237419 (CHEMBL4103414) Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CNCCO)cc2)c1 Show InChI InChI=1S/C24H27NO4S/c1-19-13-22(18-30(27,28)24-5-3-2-4-6-24)15-23(14-19)29-17-21-9-7-20(8-10-21)16-25-11-12-26/h2-10,13-15,25-26H,11-12,16-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of SPHK1 in human MDA1483 cells using C17-sphingosine as substrate assessed as reduction in C17-S1P formation preincubated for 30 mins wit...				J Med Chem 60: 2562-2572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50237431 (CHEMBL4063424) Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3C[C@H](O)[C@H](O)C3)cc2)c1 |r| Show InChI InChI=1S/C26H29NO5S/c1-19-11-22(18-33(30,31)24-5-3-2-4-6-24)13-23(12-19)32-17-21-9-7-20(8-10-21)14-27-15-25(28)26(29)16-27/h2-13,25-26,28-29H,14-18H2,1H3/t25-,26+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonistic activity at human progesterone receptor in CV-1 cells.				J Med Chem 60: 2562-2572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50237431 (CHEMBL4063424) Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3C[C@H](O)[C@H](O)C3)cc2)c1 |r| Show InChI InChI=1S/C26H29NO5S/c1-19-11-22(18-33(30,31)24-5-3-2-4-6-24)13-23(12-19)32-17-21-9-7-20(8-10-21)14-27-15-25(28)26(29)16-27/h2-13,25-26,28-29H,14-18H2,1H3/t25-,26+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in ADP formation using sphingosine as sub...				J Med Chem 60: 2562-2572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50116544 (2-{[3-(4-Benzyl-phenoxy)-propyl]-methyl-amino}-eth...) Show SMILES CN(CCCOc1ccc(Cc2ccccc2)cc1)CCS(N)(=O)=O Show InChI InChI=1S/C19H26N2O3S/c1-21(13-15-25(20,22)23)12-5-14-24-19-10-8-18(9-11-19)16-17-6-3-2-4-7-17/h2-4,6-11H,5,12-16H2,1H3,(H2,20,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human leukotriene A4 hydrolase (LTA-4).				J Med Chem 45: 3482-90 (2002) BindingDB Entry DOI: 10.7270/Q2DV1KMF
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50237436 (CHEMBL4086161) Show SMILES CC(C)CCn1c(C)nc2ccc(cc12)-c1ccc(CN2CCC[C@@H]2CO)cc1 |r| Show InChI InChI=1S/C25H33N3O/c1-18(2)12-14-28-19(3)26-24-11-10-22(15-25(24)28)21-8-6-20(7-9-21)16-27-13-4-5-23(27)17-29/h6-11,15,18,23,29H,4-5,12-14,16-17H2,1-3H3/t23-/m1/s1	PDB UniProtKB/SwissProt 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
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of SPHK1 in human MDA1483 cells using C17-sphingosine as substrate assessed as reduction in C17-S1P formation preincubated for 30 mins wit...				J Med Chem 60: 2562-2572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50237426 (CHEMBL4091588) Show SMILES Cc1nc2ccc(cc2n1CCC1CCC1)-c1ccc(CN2CCC[C@@H]2CO)cc1 |r| Show InChI InChI=1S/C26H33N3O/c1-19-27-25-12-11-23(16-26(25)29(19)15-13-20-4-2-5-20)22-9-7-21(8-10-22)17-28-14-3-6-24(28)18-30/h7-12,16,20,24,30H,2-6,13-15,17-18H2,1H3/t24-/m1/s1	PDB UniProtKB/SwissProt 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
Pfizer Inc. Curated by ChEMBL					Assay Description Effective concentration for agonist activity towards human progesterone receptor (hPR) using the cotransfection assay in CV-1 cells				J Med Chem 60: 2562-2572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50237423 (CHEMBL4104017) Show SMILES Cc1nc(no1)-c1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r| Show InChI InChI=1S/C22H25N3O3/c1-16-23-22(24-28-16)19-4-2-6-21(12-19)27-15-18-9-7-17(8-10-18)13-25-11-3-5-20(25)14-26/h2,4,6-10,12,20,26H,3,5,11,13-15H2,1H3/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in ADP formation using sphingosine as sub...				J Med Chem 60: 2562-2572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50116542 (3-{Methyl-[3-(4-thiophen-2-ylmethyl-phenoxy)-propy...) Show SMILES CN(CCCOc1ccc(Cc2cccs2)cc1)CCC(O)=O Show InChI InChI=1S/C18H23NO3S/c1-19(11-9-18(20)21)10-3-12-22-16-7-5-15(6-8-16)14-17-4-2-13-23-17/h2,4-8,13H,3,9-12,14H2,1H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human leukotriene A4 hydrolase (LTA-4).				J Med Chem 45: 3482-90 (2002) BindingDB Entry DOI: 10.7270/Q2DV1KMF
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50237422 (CHEMBL4086094) Show SMILES CC(C)c1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r| Show InChI InChI=1S/C22H29NO2/c1-17(2)20-5-3-7-22(13-20)25-16-19-10-8-18(9-11-19)14-23-12-4-6-21(23)15-24/h3,5,7-11,13,17,21,24H,4,6,12,14-16H2,1-2H3/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in S1P formation using sphingosine as sub...				J Med Chem 60: 2562-2572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50105264 (2-(2-Benzyl-3-hydroxycarbamoyl-propionylamino)-pro...) Show SMILES C[C@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1)C([O-])=O Show InChI InChI=1S/C14H18N2O5/c1-9(14(19)20)15-13(18)11(8-12(17)16-21)7-10-5-3-2-4-6-10/h2-6,9,11,21H,7-8H2,1H3,(H,15,18)(H,16,17)(H,19,20)/p-1/t9-,11+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research and Development Curated by ChEMBL					Assay Description Inhibitory activity was determined against Leukotriene A4 hydrolase				J Med Chem 43: 721-35 (2000) BindingDB Entry DOI: 10.7270/Q2CN74MZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50237417 (CHEMBL4077280) Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CC[C@H](O)C3)cc2)c1 |r| Show InChI InChI=1S/C26H29NO4S/c1-20-13-23(19-32(29,30)26-5-3-2-4-6-26)15-25(14-20)31-18-22-9-7-21(8-10-22)16-27-12-11-24(28)17-27/h2-10,13-15,24,28H,11-12,16-19H2,1H3/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human progesterone receptor				J Med Chem 60: 2562-2572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50237419 (CHEMBL4103414) Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CNCCO)cc2)c1 Show InChI InChI=1S/C24H27NO4S/c1-19-13-22(18-30(27,28)24-5-3-2-4-6-24)15-23(14-19)29-17-21-9-7-20(8-10-21)16-25-11-12-26/h2-10,13-15,25-26H,11-12,16-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in ADP formation using sphingosine as sub...				J Med Chem 60: 2562-2572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50085261 (CHEMBL163478 | [2-(4-Benzyl-phenoxy)-ethyl]-dimeth...) Show SMILES CN(C)CCOc1ccc(Cc2ccccc2)cc1 Show InChI InChI=1S/C17H21NO/c1-18(2)12-13-19-17-10-8-16(9-11-17)14-15-6-4-3-5-7-15/h3-11H,12-14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research and Development Curated by ChEMBL					Assay Description Inhibitory activity was determined against Leukotriene A4 hydrolase				J Med Chem 43: 721-35 (2000) BindingDB Entry DOI: 10.7270/Q2CN74MZ
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50237418 (CHEMBL4061789) Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3C[C@@H](O)[C@H](O)C3)cc2)c1 |r| Show InChI InChI=1S/C26H29NO5S/c1-19-11-22(18-33(30,31)24-5-3-2-4-6-24)13-23(12-19)32-17-21-9-7-20(8-10-21)14-27-15-25(28)26(29)16-27/h2-13,25-26,28-29H,14-18H2,1H3/t25-,26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of SPHK1 in human whole-blood using C17-sphingosine as substrate assessed as reduction in C17-S1P production preincubated for 30 mins foll...				J Med Chem 60: 2562-2572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50085288 (1-{2-[4-(Biphenyl-4-yloxy)-phenoxy]-ethyl}-pyrroli...) Show SMILES C(CN1CCCC1)Oc1ccc(Oc2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C24H25NO2/c1-2-6-20(7-3-1)21-8-10-23(11-9-21)27-24-14-12-22(13-15-24)26-19-18-25-16-4-5-17-25/h1-3,6-15H,4-5,16-19H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research and Development Curated by ChEMBL					Assay Description Inhibitory activity was determined against Leukotriene A4 hydrolase				J Med Chem 43: 721-35 (2000) BindingDB Entry DOI: 10.7270/Q2CN74MZ
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50085282 (5-Benzyl-2-(2-pyrrolidin-1-yl-ethoxy)-pyridine | C...) Show SMILES C(CN1CCCC1)Oc1ccc(Cc2ccccc2)cn1 Show InChI InChI=1S/C18H22N2O/c1-2-6-16(7-3-1)14-17-8-9-18(19-15-17)21-13-12-20-10-4-5-11-20/h1-3,6-9,15H,4-5,10-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research and Development Curated by ChEMBL					Assay Description Inhibitory activity was determined against Leukotriene A4 hydrolase				J Med Chem 43: 721-35 (2000) BindingDB Entry DOI: 10.7270/Q2CN74MZ
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50116548 (3-{[3-(4-Benzyl-phenoxy)-propyl]-methyl-amino}-pro...) Show SMILES CN(CCCOc1ccc(Cc2ccccc2)cc1)CCC(N)=O Show InChI InChI=1S/C20H26N2O2/c1-22(14-12-20(21)23)13-5-15-24-19-10-8-18(9-11-19)16-17-6-3-2-4-7-17/h2-4,6-11H,5,12-16H2,1H3,(H2,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human leukotriene A4 hydrolase (LTA-4).				J Med Chem 45: 3482-90 (2002) BindingDB Entry DOI: 10.7270/Q2DV1KMF
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50116561 (3-[4-(4-Benzyl-phenoxy)-butylamino]-propionic acid...) Show SMILES CCOC(=O)CCNCCCCOc1ccc(Cc2ccccc2)cc1 Show InChI InChI=1S/C22H29NO3/c1-2-25-22(24)14-16-23-15-6-7-17-26-21-12-10-20(11-13-21)18-19-8-4-3-5-9-19/h3-5,8-13,23H,2,6-7,14-18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human leukotriene A4 hydrolase (LTA-4).				J Med Chem 45: 3482-90 (2002) BindingDB Entry DOI: 10.7270/Q2DV1KMF
					More data for this Ligand-Target Pair

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