Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50003757 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 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50475574
(CHEMBL371758)Show SMILES C[C@@](N)(CCc1ccc(OCCCCCCCCCCCNc2ccc([N+]([O-])=O)c3nonc23)cc1)COP(O)(O)=O Show InChI InChI=1S/C28H42N5O8P/c1-28(29,21-40-42(36,37)38)18-17-22-11-13-23(14-12-22)39-20-10-8-6-4-2-3-5-7-9-19-30-24-15-16-25(33(34)35)27-26(24)31-41-32-27/h11-16,30H,2-10,17-21,29H2,1H3,(H2,36,37,38)/t28-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 32 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Binding potency at human S1P3 receptor by [35S]GTP-gamma-S binding assay |
Bioorg Med Chem Lett 16: 84-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.038
BindingDB Entry DOI: 10.7270/Q29C715H |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50475577
(CHEMBL382739)Show SMILES CCCCCCCOc1ccc(CC[C@@](C)(N)COP(O)(O)=O)cc1 |r| Show InChI InChI=1S/C18H32NO5P/c1-3-4-5-6-7-14-23-17-10-8-16(9-11-17)12-13-18(2,19)15-24-25(20,21)22/h8-11H,3-7,12-15,19H2,1-2H3,(H2,20,21,22)/t18-/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Binding potency at human S1P4 receptor by [35S]GTP-gamma-S binding assay |
Bioorg Med Chem Lett 16: 84-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.038
BindingDB Entry DOI: 10.7270/Q29C715H |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50475576
(CHEMBL199791)Show SMILES CCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O Show InChI InChI=1S/C15H32NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-15(17)14(16)13-21-22(18,19)20/h11-12,14-15,17H,2-10,13,16H2,1H3,(H2,18,19,20)/b12-11+/t14-,15+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Binding potency at human S1P5 receptor by [35S]GTP-gamma-S binding assay |
Bioorg Med Chem Lett 16: 84-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.038
BindingDB Entry DOI: 10.7270/Q29C715H |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50475575
(CHEMBL199754)Show SMILES N[C@@H](COP(O)(O)=O)[C@H](O)\C=C\CCCCCCCCCCNc1ccc([N+]([O-])=O)c2nonc12 Show InChI InChI=1S/C21H34N5O8P/c22-16(15-33-35(30,31)32)19(27)11-9-7-5-3-1-2-4-6-8-10-14-23-17-12-13-18(26(28)29)21-20(17)24-34-25-21/h9,11-13,16,19,23,27H,1-8,10,14-15,22H2,(H2,30,31,32)/b11-9+/t16-,19+/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 63 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Binding potency at human S1P4 receptor by [35S]GTP-gamma-S binding assay |
Bioorg Med Chem Lett 16: 84-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.038
BindingDB Entry DOI: 10.7270/Q29C715H |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50475574
(CHEMBL371758)Show SMILES C[C@@](N)(CCc1ccc(OCCCCCCCCCCCNc2ccc([N+]([O-])=O)c3nonc23)cc1)COP(O)(O)=O Show InChI InChI=1S/C28H42N5O8P/c1-28(29,21-40-42(36,37)38)18-17-22-11-13-23(14-12-22)39-20-10-8-6-4-2-3-5-7-9-19-30-24-15-16-25(33(34)35)27-26(24)31-41-32-27/h11-16,30H,2-10,17-21,29H2,1H3,(H2,36,37,38)/t28-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Binding potency at human S1P1 receptor by [35S]GTP-gamma-S binding assay |
Bioorg Med Chem Lett 16: 84-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.038
BindingDB Entry DOI: 10.7270/Q29C715H |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50475577
(CHEMBL382739)Show SMILES CCCCCCCOc1ccc(CC[C@@](C)(N)COP(O)(O)=O)cc1 |r| Show InChI InChI=1S/C18H32NO5P/c1-3-4-5-6-7-14-23-17-10-8-16(9-11-17)12-13-18(2,19)15-24-25(20,21)22/h8-11H,3-7,12-15,19H2,1-2H3,(H2,20,21,22)/t18-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 6.30 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Binding potency at human S1P3 receptor by [35S]GTP-gamma-S binding assay |
Bioorg Med Chem Lett 16: 84-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.038
BindingDB Entry DOI: 10.7270/Q29C715H |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50475575
(CHEMBL199754)Show SMILES N[C@@H](COP(O)(O)=O)[C@H](O)\C=C\CCCCCCCCCCNc1ccc([N+]([O-])=O)c2nonc12 Show InChI InChI=1S/C21H34N5O8P/c22-16(15-33-35(30,31)32)19(27)11-9-7-5-3-1-2-4-6-8-10-14-23-17-12-13-18(26(28)29)21-20(17)24-34-25-21/h9,11-13,16,19,23,27H,1-8,10,14-15,22H2,(H2,30,31,32)/b11-9+/t16-,19+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 63 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Binding potency at human S1P1 receptor by [35S]GTP-gamma-S binding assay |
Bioorg Med Chem Lett 16: 84-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.038
BindingDB Entry DOI: 10.7270/Q29C715H |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50475574
(CHEMBL371758)Show SMILES C[C@@](N)(CCc1ccc(OCCCCCCCCCCCNc2ccc([N+]([O-])=O)c3nonc23)cc1)COP(O)(O)=O Show InChI InChI=1S/C28H42N5O8P/c1-28(29,21-40-42(36,37)38)18-17-22-11-13-23(14-12-22)39-20-10-8-6-4-2-3-5-7-9-19-30-24-15-16-25(33(34)35)27-26(24)31-41-32-27/h11-16,30H,2-10,17-21,29H2,1H3,(H2,36,37,38)/t28-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Binding potency at human S1P5 receptor by [35S]GTP-gamma-S binding assay |
Bioorg Med Chem Lett 16: 84-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.038
BindingDB Entry DOI: 10.7270/Q29C715H |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50475576
(CHEMBL199791)Show SMILES CCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O Show InChI InChI=1S/C15H32NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-15(17)14(16)13-21-22(18,19)20/h11-12,14-15,17H,2-10,13,16H2,1H3,(H2,18,19,20)/b12-11+/t14-,15+/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Binding potency at human S1P4 receptor by [35S]GTP-gamma-S binding assay |
Bioorg Med Chem Lett 16: 84-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.038
BindingDB Entry DOI: 10.7270/Q29C715H |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50475578
(CHEMBL203475)Show SMILES C[C@@](N)(CCc1ccc(OCCCCCCCCNc2ccc([N+]([O-])=O)c3nonc23)cc1)COP(O)(O)=O Show InChI InChI=1S/C25H36N5O8P/c1-25(26,18-37-39(33,34)35)15-14-19-8-10-20(11-9-19)36-17-7-5-3-2-4-6-16-27-21-12-13-22(30(31)32)24-23(21)28-38-29-24/h8-13,27H,2-7,14-18,26H2,1H3,(H2,33,34,35)/t25-/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Binding potency at human S1P4 receptor by [35S]GTP-gamma-S binding assay |
Bioorg Med Chem Lett 16: 84-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.038
BindingDB Entry DOI: 10.7270/Q29C715H |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50475575
(CHEMBL199754)Show SMILES N[C@@H](COP(O)(O)=O)[C@H](O)\C=C\CCCCCCCCCCNc1ccc([N+]([O-])=O)c2nonc12 Show InChI InChI=1S/C21H34N5O8P/c22-16(15-33-35(30,31)32)19(27)11-9-7-5-3-1-2-4-6-8-10-14-23-17-12-13-18(26(28)29)21-20(17)24-34-25-21/h9,11-13,16,19,23,27H,1-8,10,14-15,22H2,(H2,30,31,32)/b11-9+/t16-,19+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 5 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Binding potency at human S1P3 receptor by [35S]GTP-gamma-S binding assay |
Bioorg Med Chem Lett 16: 84-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.038
BindingDB Entry DOI: 10.7270/Q29C715H |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50475576
(CHEMBL199791)Show SMILES CCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O Show InChI InChI=1S/C15H32NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-15(17)14(16)13-21-22(18,19)20/h11-12,14-15,17H,2-10,13,16H2,1H3,(H2,18,19,20)/b12-11+/t14-,15+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.178 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Binding potency at human S1P3 receptor by [35S]GTP-gamma-S binding assay |
Bioorg Med Chem Lett 16: 84-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.038
BindingDB Entry DOI: 10.7270/Q29C715H |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50475578
(CHEMBL203475)Show SMILES C[C@@](N)(CCc1ccc(OCCCCCCCCNc2ccc([N+]([O-])=O)c3nonc23)cc1)COP(O)(O)=O Show InChI InChI=1S/C25H36N5O8P/c1-25(26,18-37-39(33,34)35)15-14-19-8-10-20(11-9-19)36-17-7-5-3-2-4-6-16-27-21-12-13-22(30(31)32)24-23(21)28-38-29-24/h8-13,27H,2-7,14-18,26H2,1H3,(H2,33,34,35)/t25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Binding potency at human S1P1 receptor by [35S]GTP-gamma-S binding assay |
Bioorg Med Chem Lett 16: 84-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.038
BindingDB Entry DOI: 10.7270/Q29C715H |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50475576
(CHEMBL199791)Show SMILES CCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O Show InChI InChI=1S/C15H32NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-15(17)14(16)13-21-22(18,19)20/h11-12,14-15,17H,2-10,13,16H2,1H3,(H2,18,19,20)/b12-11+/t14-,15+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Binding potency at human S1P1 receptor by [35S]GTP-gamma-S binding assay |
Bioorg Med Chem Lett 16: 84-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.038
BindingDB Entry DOI: 10.7270/Q29C715H |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50475577
(CHEMBL382739)Show SMILES CCCCCCCOc1ccc(CC[C@@](C)(N)COP(O)(O)=O)cc1 |r| Show InChI InChI=1S/C18H32NO5P/c1-3-4-5-6-7-14-23-17-10-8-16(9-11-17)12-13-18(2,19)15-24-25(20,21)22/h8-11H,3-7,12-15,19H2,1-2H3,(H2,20,21,22)/t18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.794 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Binding potency at human S1P1 receptor by [35S]GTP-gamma-S binding assay |
Bioorg Med Chem Lett 16: 84-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.038
BindingDB Entry DOI: 10.7270/Q29C715H |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50475578
(CHEMBL203475)Show SMILES C[C@@](N)(CCc1ccc(OCCCCCCCCNc2ccc([N+]([O-])=O)c3nonc23)cc1)COP(O)(O)=O Show InChI InChI=1S/C25H36N5O8P/c1-25(26,18-37-39(33,34)35)15-14-19-8-10-20(11-9-19)36-17-7-5-3-2-4-6-16-27-21-12-13-22(30(31)32)24-23(21)28-38-29-24/h8-13,27H,2-7,14-18,26H2,1H3,(H2,33,34,35)/t25-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Binding potency at human S1P3 receptor by [35S]GTP-gamma-S binding assay |
Bioorg Med Chem Lett 16: 84-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.038
BindingDB Entry DOI: 10.7270/Q29C715H |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50475577
(CHEMBL382739)Show SMILES CCCCCCCOc1ccc(CC[C@@](C)(N)COP(O)(O)=O)cc1 |r| Show InChI InChI=1S/C18H32NO5P/c1-3-4-5-6-7-14-23-17-10-8-16(9-11-17)12-13-18(2,19)15-24-25(20,21)22/h8-11H,3-7,12-15,19H2,1-2H3,(H2,20,21,22)/t18-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Binding potency at human S1P5 receptor by [35S]GTP-gamma-S binding assay |
Bioorg Med Chem Lett 16: 84-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.038
BindingDB Entry DOI: 10.7270/Q29C715H |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50475575
(CHEMBL199754)Show SMILES N[C@@H](COP(O)(O)=O)[C@H](O)\C=C\CCCCCCCCCCNc1ccc([N+]([O-])=O)c2nonc12 Show InChI InChI=1S/C21H34N5O8P/c22-16(15-33-35(30,31)32)19(27)11-9-7-5-3-1-2-4-6-8-10-14-23-17-12-13-18(26(28)29)21-20(17)24-34-25-21/h9,11-13,16,19,23,27H,1-8,10,14-15,22H2,(H2,30,31,32)/b11-9+/t16-,19+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 50 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Binding potency at human S1P5 receptor by [35S]GTP-gamma-S binding assay |
Bioorg Med Chem Lett 16: 84-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.038
BindingDB Entry DOI: 10.7270/Q29C715H |
More data for this
Ligand-Target Pair | |
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