Compile Data Set for Download or QSAR

Found 142 hits with Last Name = 'meier' and Initial = 'g'   

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 2 (Homo sapiens (Human))	BDBM50562760 (CHEMBL4750447) Show SMILES Cl.CCCCCCCCCn1ccc2cc(ccc12)-c1noc(n1)[C@@H]1CCCN1C(N)=N |r| Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Sphk2 expressed in baculovirus infected Sf9 insect cells using d-erythro-sphingosine as substrate measured after 20 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113121 BindingDB Entry DOI: 10.7270/Q2F193FG
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50562761 (CHEMBL4782021) Show SMILES Cl.CCCCCCCCCCn1ccc2cc(ccc12)-c1noc(n1)[C@@H]1CCCN1C(N)=N |r| Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Sphk2 expressed in baculovirus infected Sf9 insect cells using d-erythro-sphingosine as substrate measured after 20 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113121 BindingDB Entry DOI: 10.7270/Q2F193FG
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50562759 (CHEMBL4783605) Show SMILES Cl.CCCCCCCCCCCCn1cc(-c2noc(n2)[C@@H]2CCCN2C(N)=N)c2ccccc12 |r| Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Sphk2 expressed in baculovirus infected Sf9 insect cells using d-erythro-sphingosine as substrate measured after 20 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113121 BindingDB Entry DOI: 10.7270/Q2F193FG
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50562758 (CHEMBL4755938) Show SMILES Cl.CCCCCCCCCCn1cc(-c2noc(n2)[C@@H]2CCCN2C(N)=N)c2ccccc12 |r| Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Sphk2 expressed in baculovirus infected Sf9 insect cells using d-erythro-sphingosine as substrate measured after 20 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113121 BindingDB Entry DOI: 10.7270/Q2F193FG
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM27213 (4-[3-(4-cyclopropanecarbonylphenoxy)propyl]-1H-imi...) Show SMILES O=C(C1CC1)c1ccc(OCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C16H18N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14/h5-8,10-12H,1-4,9H2,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro binding affinity against rat histamine H3 receptor				J Med Chem 47: 2678-87 (2004) Article DOI: 10.1021/jm031065q BindingDB Entry DOI: 10.7270/Q2SQ8ZTC
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50562757 (CHEMBL3814580) Show SMILES Cl.CCCCOc1ccc2cc(ccc2c1)-c1noc(n1)[C@@H]1CCCN1C(N)=N |r| Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Sphk2 expressed in baculovirus infected Sf9 insect cells using d-erythro-sphingosine as substrate measured after 20 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113121 BindingDB Entry DOI: 10.7270/Q2F193FG
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50177006 (CHEMBL3814849) Show SMILES Cl.NC(=N)N1CCC[C@H]1c1nc(no1)-c1ccc2cc(OCc3ccc(cc3)C(F)(F)F)ccc2c1 |r| Show InChI InChI=1S/C25H22F3N5O2.ClH/c26-25(27,28)19-8-3-15(4-9-19)14-34-20-10-7-16-12-18(6-5-17(16)13-20)22-31-23(35-32-22)21-2-1-11-33(21)24(29)30;/h3-10,12-13,21H,1-2,11,14H2,(H3,29,30);1H/t21-;/m0./s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Sphk2 expressed in baculovirus infected Sf9 insect cells using d-erythro-sphingosine as substrate measured after 20 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113121 BindingDB Entry DOI: 10.7270/Q2F193FG
					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	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive-inhibition of recombinant human C-terminal His6-tagged Sphk1 expressed in baculovirus infected Sf21 insect cells using varying levels of ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113121 BindingDB Entry DOI: 10.7270/Q2F193FG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM22914 (CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...) Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1 Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro binding affinity against rat histamine H3 receptor				J Med Chem 47: 2678-87 (2004) Article DOI: 10.1021/jm031065q BindingDB Entry DOI: 10.7270/Q2SQ8ZTC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50146147 (4-[3-(3-Cyclopentyl-propoxy)-propyl]-1H-imidazole;...) Show SMILES C(COCCCc1cnc[nH]1)CC1CCCC1 Show InChI InChI=1S/C14H24N2O/c1-2-6-13(5-1)7-3-9-17-10-4-8-14-11-15-12-16-14/h11-13H,1-10H2,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro binding affinity against rat histamine H3 receptor				J Med Chem 47: 2678-87 (2004) Article DOI: 10.1021/jm031065q BindingDB Entry DOI: 10.7270/Q2SQ8ZTC
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50562757 (CHEMBL3814580) Show SMILES Cl.CCCCOc1ccc2cc(ccc2c1)-c1noc(n1)[C@@H]1CCCN1C(N)=N |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Sphk1 expressed in baculovirus infected Sf9 insect cells using d-erythro-sphingosine as substrate measured after 20 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113121 BindingDB Entry DOI: 10.7270/Q2F193FG
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50562759 (CHEMBL4783605) Show SMILES Cl.CCCCCCCCCCCCn1cc(-c2noc(n2)[C@@H]2CCCN2C(N)=N)c2ccccc12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Sphk1 expressed in baculovirus infected Sf9 insect cells using d-erythro-sphingosine as substrate measured after 20 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113121 BindingDB Entry DOI: 10.7270/Q2F193FG
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50562760 (CHEMBL4750447) Show SMILES Cl.CCCCCCCCCn1ccc2cc(ccc12)-c1noc(n1)[C@@H]1CCCN1C(N)=N |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Sphk1 expressed in baculovirus infected Sf9 insect cells using d-erythro-sphingosine as substrate measured after 20 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113121 BindingDB Entry DOI: 10.7270/Q2F193FG
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50562761 (CHEMBL4782021) Show SMILES Cl.CCCCCCCCCCn1ccc2cc(ccc12)-c1noc(n1)[C@@H]1CCCN1C(N)=N |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Sphk1 expressed in baculovirus infected Sf9 insect cells using d-erythro-sphingosine as substrate measured after 20 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113121 BindingDB Entry DOI: 10.7270/Q2F193FG
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50562758 (CHEMBL4755938) Show SMILES Cl.CCCCCCCCCCn1cc(-c2noc(n2)[C@@H]2CCCN2C(N)=N)c2ccccc12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Sphk1 expressed in baculovirus infected Sf9 insect cells using d-erythro-sphingosine as substrate measured after 20 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113121 BindingDB Entry DOI: 10.7270/Q2F193FG
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50146145 (4-[3-(2-Cyclohexyl-ethoxy)-propyl]-1H-imidazole; c...) Show SMILES C(COCCC1CCCCC1)Cc1cnc[nH]1 Show InChI InChI=1S/C14H24N2O/c1-2-5-13(6-3-1)8-10-17-9-4-7-14-11-15-12-16-14/h11-13H,1-10H2,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro binding affinity against rat histamine H3 receptor				J Med Chem 47: 2678-87 (2004) Article DOI: 10.1021/jm031065q BindingDB Entry DOI: 10.7270/Q2SQ8ZTC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50146126 (1-(4-Fluoro-phenyl)-4-[3-(1H-imidazol-4-yl)-propox...) Show SMILES Fc1ccc(cc1)C(=O)CCCOCCCc1cnc[nH]1 Show InChI InChI=1S/C16H19FN2O2/c17-14-7-5-13(6-8-14)16(20)4-2-10-21-9-1-3-15-11-18-12-19-15/h5-8,11-12H,1-4,9-10H2,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro binding affinity against rat histamine H3 receptor				J Med Chem 47: 2678-87 (2004) Article DOI: 10.1021/jm031065q BindingDB Entry DOI: 10.7270/Q2SQ8ZTC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50146129 (4-(3-Hexyloxy-propyl)-1H-imidazole; compound with ...) Show SMILES CCCCCCOCCCc1cnc[nH]1 Show InChI InChI=1S/C12H22N2O/c1-2-3-4-5-8-15-9-6-7-12-10-13-11-14-12/h10-11H,2-9H2,1H3,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro binding affinity against rat histamine H3 receptor				J Med Chem 47: 2678-87 (2004) Article DOI: 10.1021/jm031065q BindingDB Entry DOI: 10.7270/Q2SQ8ZTC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50146146 (4-(3-Heptyloxy-propyl)-1H-imidazole; compound with...) Show SMILES CCCCCCCOCCCc1cnc[nH]1 Show InChI InChI=1S/C13H24N2O/c1-2-3-4-5-6-9-16-10-7-8-13-11-14-12-15-13/h11-12H,2-10H2,1H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro binding affinity against rat histamine H3 receptor				J Med Chem 47: 2678-87 (2004) Article DOI: 10.1021/jm031065q BindingDB Entry DOI: 10.7270/Q2SQ8ZTC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50146138 (4-[3-(3-Cyclohexyl-propoxy)-propyl]-1H-imidazole; ...) Show SMILES C(COCCCc1cnc[nH]1)CC1CCCCC1 Show InChI InChI=1S/C15H26N2O/c1-2-6-14(7-3-1)8-4-10-18-11-5-9-15-12-16-13-17-15/h12-14H,1-11H2,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro binding affinity against rat histamine H3 receptor				J Med Chem 47: 2678-87 (2004) Article DOI: 10.1021/jm031065q BindingDB Entry DOI: 10.7270/Q2SQ8ZTC
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50177006 (CHEMBL3814849) Show SMILES Cl.NC(=N)N1CCC[C@H]1c1nc(no1)-c1ccc2cc(OCc3ccc(cc3)C(F)(F)F)ccc2c1 |r| Show InChI InChI=1S/C25H22F3N5O2.ClH/c26-25(27,28)19-8-3-15(4-9-19)14-34-20-10-7-16-12-18(6-5-17(16)13-20)22-31-23(35-32-22)21-2-1-11-33(21)24(29)30;/h3-10,12-13,21H,1-2,11,14H2,(H3,29,30);1H/t21-;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Sphk1 expressed in baculovirus infected Sf9 insect cells using d-erythro-sphingosine as substrate measured after 20 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113121 BindingDB Entry DOI: 10.7270/Q2F193FG
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50146139 (4-(3-Pent-4-enyloxy-propyl)-1H-imidazole; oxalic a...) Show SMILES C=CCCCOCCCc1cnc[nH]1 Show InChI InChI=1S/C11H18N2O/c1-2-3-4-7-14-8-5-6-11-9-12-10-13-11/h2,9-10H,1,3-8H2,(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro binding affinity against rat histamine H3 receptor				J Med Chem 47: 2678-87 (2004) Article DOI: 10.1021/jm031065q BindingDB Entry DOI: 10.7270/Q2SQ8ZTC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50146135 (4-(3-Pentyloxy-propyl)-1H-imidazole; compound with...) Show SMILES CCCCCOCCCc1cnc[nH]1 Show InChI InChI=1S/C11H20N2O/c1-2-3-4-7-14-8-5-6-11-9-12-10-13-11/h9-10H,2-8H2,1H3,(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro binding affinity against rat histamine H3 receptor				J Med Chem 47: 2678-87 (2004) Article DOI: 10.1021/jm031065q BindingDB Entry DOI: 10.7270/Q2SQ8ZTC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50146136 (4-(3-Pent-4-ynyloxy-propyl)-1H-imidazole; compound...) Show SMILES C#CCCCOCCCc1cnc[nH]1 Show InChI InChI=1S/C11H16N2O/c1-2-3-4-7-14-8-5-6-11-9-12-10-13-11/h1,9-10H,3-8H2,(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro binding affinity against rat histamine H3 receptor				J Med Chem 47: 2678-87 (2004) Article DOI: 10.1021/jm031065q BindingDB Entry DOI: 10.7270/Q2SQ8ZTC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50146141 (4-(3-Butoxy-propyl)-1H-imidazole; compound with (Z...) Show SMILES CCCCOCCCc1cnc[nH]1 Show InChI InChI=1S/C10H18N2O/c1-2-3-6-13-7-4-5-10-8-11-9-12-10/h8-9H,2-7H2,1H3,(H,11,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro binding affinity against rat histamine H3 receptor				J Med Chem 47: 2678-87 (2004) Article DOI: 10.1021/jm031065q BindingDB Entry DOI: 10.7270/Q2SQ8ZTC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50146137 (4-(3-tert-Butoxy-propyl)-1H-imidazole; compound wi...) Show SMILES CC(C)(C)OCCCc1cnc[nH]1 Show InChI InChI=1S/C10H18N2O/c1-10(2,3)13-6-4-5-9-7-11-8-12-9/h7-8H,4-6H2,1-3H3,(H,11,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro binding affinity against rat histamine H3 receptor				J Med Chem 47: 2678-87 (2004) Article DOI: 10.1021/jm031065q BindingDB Entry DOI: 10.7270/Q2SQ8ZTC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50146150 (4-[3-(1H-Imidazol-4-yl)-propoxy]-butan-2-one; comp...) Show SMILES CC(=O)CCOCCCc1cnc[nH]1 Show InChI InChI=1S/C10H16N2O2/c1-9(13)4-6-14-5-2-3-10-7-11-8-12-10/h7-8H,2-6H2,1H3,(H,11,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	143	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro binding affinity against rat histamine H3 receptor				J Med Chem 47: 2678-87 (2004) Article DOI: 10.1021/jm031065q BindingDB Entry DOI: 10.7270/Q2SQ8ZTC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50146142 (4-(3-Cyclopropylmethoxy-propyl)-1H-imidazole; comp...) Show SMILES C(COCC1CC1)Cc1cnc[nH]1 Show InChI InChI=1S/C10H16N2O/c1(2-10-6-11-8-12-10)5-13-7-9-3-4-9/h6,8-9H,1-5,7H2,(H,11,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	167	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro binding affinity against rat histamine H3 receptor				J Med Chem 47: 2678-87 (2004) Article DOI: 10.1021/jm031065q BindingDB Entry DOI: 10.7270/Q2SQ8ZTC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50146130 (4-[3-(2,3-Diphenyl-propoxy)-propyl]-1H-imidazole; ...) Show SMILES C(COCC(Cc1ccccc1)c1ccccc1)Cc1cnc[nH]1 Show InChI InChI=1S/C21H24N2O/c1-3-8-18(9-4-1)14-20(19-10-5-2-6-11-19)16-24-13-7-12-21-15-22-17-23-21/h1-6,8-11,15,17,20H,7,12-14,16H2,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	184	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro binding affinity against rat histamine H3 receptor				J Med Chem 47: 2678-87 (2004) Article DOI: 10.1021/jm031065q BindingDB Entry DOI: 10.7270/Q2SQ8ZTC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50146128 (4-(3-Prop-2-ynyloxy-propyl)-1H-imidazole; oxalic a...) Show SMILES C#CCOCCCc1cnc[nH]1 Show InChI InChI=1S/C9H12N2O/c1-2-5-12-6-3-4-9-7-10-8-11-9/h1,7-8H,3-6H2,(H,10,11)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro binding affinity against rat histamine H3 receptor				J Med Chem 47: 2678-87 (2004) Article DOI: 10.1021/jm031065q BindingDB Entry DOI: 10.7270/Q2SQ8ZTC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50146127 (4-(3-Allyloxy-propyl)-1H-imidazole; oxalic acid | ...) Show SMILES C=CCOCCCc1cnc[nH]1 Show InChI InChI=1S/C9H14N2O/c1-2-5-12-6-3-4-9-7-10-8-11-9/h2,7-8H,1,3-6H2,(H,10,11)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro binding affinity against rat histamine H3 receptor				J Med Chem 47: 2678-87 (2004) Article DOI: 10.1021/jm031065q BindingDB Entry DOI: 10.7270/Q2SQ8ZTC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50146149 (4-(3-Propoxy-propyl)-1H-imidazole; oxalic acid | C...) Show SMILES CCCOCCCc1cnc[nH]1 Show InChI InChI=1S/C9H16N2O/c1-2-5-12-6-3-4-9-7-10-8-11-9/h7-8H,2-6H2,1H3,(H,10,11)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro binding affinity against rat histamine H3 receptor				J Med Chem 47: 2678-87 (2004) Article DOI: 10.1021/jm031065q BindingDB Entry DOI: 10.7270/Q2SQ8ZTC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50146132 (4-(3-Methoxy-propyl)-1H-imidazole; oxalic acid | C...) Show SMILES COCCCc1cnc[nH]1 Show InChI InChI=1S/C7H12N2O/c1-10-4-2-3-7-5-8-6-9-7/h5-6H,2-4H2,1H3,(H,8,9)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro binding affinity against rat histamine H3 receptor				J Med Chem 47: 2678-87 (2004) Article DOI: 10.1021/jm031065q BindingDB Entry DOI: 10.7270/Q2SQ8ZTC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50146134 (4-Cyclohexylmethoxymethyl-1H-imidazole; compound w...) Show SMILES C(OCc1cnc[nH]1)C1CCCCC1 Show InChI InChI=1S/C11H18N2O/c1-2-4-10(5-3-1)7-14-8-11-6-12-9-13-11/h6,9-10H,1-5,7-8H2,(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro binding affinity against rat histamine H3 receptor				J Med Chem 47: 2678-87 (2004) Article DOI: 10.1021/jm031065q BindingDB Entry DOI: 10.7270/Q2SQ8ZTC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50146140 (2-[3-(1H-Imidazol-4-yl)-propoxy]-1-(3-nitro-phenyl...) Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)COCCCc1cnc[nH]1 Show InChI InChI=1S/C14H15N3O4/c18-14(11-3-1-5-13(7-11)17(19)20)9-21-6-2-4-12-8-15-10-16-12/h1,3,5,7-8,10H,2,4,6,9H2,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro binding affinity against rat histamine H3 receptor				J Med Chem 47: 2678-87 (2004) Article DOI: 10.1021/jm031065q BindingDB Entry DOI: 10.7270/Q2SQ8ZTC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50146143 (4-(2-tert-Butoxy-ethyl)-1H-imidazole; oxalic acid ...) Show SMILES CC(C)(C)OCCc1cnc[nH]1 Show InChI InChI=1S/C9H16N2O/c1-9(2,3)12-5-4-8-6-10-7-11-8/h6-7H,4-5H2,1-3H3,(H,10,11)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro binding affinity against rat histamine H3 receptor				J Med Chem 47: 2678-87 (2004) Article DOI: 10.1021/jm031065q BindingDB Entry DOI: 10.7270/Q2SQ8ZTC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50146144 (4-(3-Trityloxy-propyl)-1H-imidazole | CHEMBL91576) Show SMILES C(COC(c1ccccc1)(c1ccccc1)c1ccccc1)Cc1cnc[nH]1 Show InChI InChI=1S/C25H24N2O/c1-4-11-21(12-5-1)25(22-13-6-2-7-14-22,23-15-8-3-9-16-23)28-18-10-17-24-19-26-20-27-24/h1-9,11-16,19-20H,10,17-18H2,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro binding affinity against rat histamine H3 receptor				J Med Chem 47: 2678-87 (2004) Article DOI: 10.1021/jm031065q BindingDB Entry DOI: 10.7270/Q2SQ8ZTC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50146125 (4-(2-Cyclohexyl-ethoxymethyl)-1H-imidazole; compou...) Show SMILES C(CC1CCCCC1)OCc1cnc[nH]1 Show InChI InChI=1S/C12H20N2O/c1-2-4-11(5-3-1)6-7-15-9-12-8-13-10-14-12/h8,10-11H,1-7,9H2,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro binding affinity against rat histamine H3 receptor				J Med Chem 47: 2678-87 (2004) Article DOI: 10.1021/jm031065q BindingDB Entry DOI: 10.7270/Q2SQ8ZTC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50146131 (2-[3-(1H-Imidazol-4-yl)-propoxy]-1-phenyl-ethanone...) Show SMILES O=C(COCCCc1cnc[nH]1)c1ccccc1 Show InChI InChI=1S/C14H16N2O2/c17-14(12-5-2-1-3-6-12)10-18-8-4-7-13-9-15-11-16-13/h1-3,5-6,9,11H,4,7-8,10H2,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro binding affinity against rat histamine H3 receptor				J Med Chem 47: 2678-87 (2004) Article DOI: 10.1021/jm031065q BindingDB Entry DOI: 10.7270/Q2SQ8ZTC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50146133 (4-(3-Ethoxy-propyl)-1H-imidazole; oxalic acid | CH...) Show SMILES CCOCCCc1cnc[nH]1 Show InChI InChI=1S/C8H14N2O/c1-2-11-5-3-4-8-6-9-7-10-8/h6-7H,2-5H2,1H3,(H,9,10)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro binding affinity against rat histamine H3 receptor				J Med Chem 47: 2678-87 (2004) Article DOI: 10.1021/jm031065q BindingDB Entry DOI: 10.7270/Q2SQ8ZTC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50146148 (3-[3-(1H-Imidazol-4-yl)-propoxy]-propionitrile; ox...) Show SMILES N#CCCOCCCc1cnc[nH]1 Show InChI InChI=1S/C9H13N3O/c10-4-2-6-13-5-1-3-9-7-11-8-12-9/h7-8H,1-3,5-6H2,(H,11,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	674	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro binding affinity against rat histamine H3 receptor				J Med Chem 47: 2678-87 (2004) Article DOI: 10.1021/jm031065q BindingDB Entry DOI: 10.7270/Q2SQ8ZTC
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50393642 (CHEMBL2158685) Show SMILES Clc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)NCc1ccncc1)C2 |TLB:14:9:26:15.13.12,14:13:8.9.10:26,THB:16:13:8:10.11.26,16:13:8.9.10:26,12:13:8:10.11.26,12:11:8:15.14.13| Show InChI InChI=1S/C23H25ClN2O/c24-20-3-1-19(2-4-20)22-10-17-9-18(11-22)13-23(12-17,15-22)21(27)26-14-16-5-7-25-8-6-16/h1-8,17-18H,9-15H2,(H,26,27)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human N-terminal His-tagged Sphk2 (2 to 593 residues) expressed in Escherichia coli using varying level of sphingosine as s...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113121 BindingDB Entry DOI: 10.7270/Q2F193FG
					More data for this Ligand-Target Pair
Protein spinster homolog 1 (Human)	BDBM627389 (US20230331683, Compound 2a) Show SMILES CCCCCCCCCCc1ccc(NC(=O)[C@@H]2CCCNC2)cc1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Protein spinster homolog 1 (Human)	BDBM627429 (US20230331683, Compound 2b) Show SMILES CCCCCCCCCCc1ccc(NC(=O)[C@@H]2CCNC2)cc1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Protein spinster homolog 1 (Human)	BDBM627430 (US20230331683, Compound 2c) Show SMILES CCCCCCCCCCc1ccc(NC(=O)CCCN)cc1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Protein spinster homolog 1 (Human)	BDBM627431 (US20230331683, Compound 2d) Show SMILES CCCCCCCCCCc1ccc(NC(=O)CCN)cc1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Protein spinster homolog 1 (Human)	BDBM627432 (US20230331683, Compound 2e) Show SMILES CCCCCCCCCCc1ccc(NC(=O)CCCCN)cc1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Protein spinster homolog 1 (Human)	BDBM627433 (US20230331683, Compound 2f) Show SMILES CCCCCCCCCCc1ccc(NC(=O)CCCCCN)cc1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Protein spinster homolog 1 (Human)	BDBM627434 (US20230331683, Compound 2g) Show SMILES CCCCCCCCCc1ccc(NC(=O)CCCN)cc1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Protein spinster homolog 1 (Human)	BDBM627435 (US20230331683, Compound 2h) Show SMILES CCCCCCCCc1ccc(NC(=O)CCCN)cc1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair

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