Found 29 hits of Enzyme Inhibition Constant Data 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 2
(Rattus norvegicus (Rat)) | BDBM149705
(US8975409, Example 9(3))Show SMILES OC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC3)c3ccc(F)cc3)cc(Oc3ccc(F)cc3)c2)cc1 Show InChI InChI=1S/C31H26F2N2O6/c32-22-5-3-21(4-6-22)31(39)13-15-35(16-14-31)30(38)34-24-17-27(40-25-9-1-20(2-10-25)29(36)37)19-28(18-24)41-26-11-7-23(33)8-12-26/h1-12,17-19,39H,13-16H2,(H,34,38)(H,36,37) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay |
Bioorg Med Chem Lett 25: 4387-92 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50065611
(CHEMBL3401383)Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C(N)=O)c1 Show InChI InChI=1S/C31H36FN3O5/c1-3-21(4-2)20-31(38)13-15-35(16-14-31)30(37)34-24-17-27(39-25-9-5-22(6-10-25)29(33)36)19-28(18-24)40-26-11-7-23(32)8-12-26/h5-12,17-19,21,38H,3-4,13-16,20H2,1-2H3,(H2,33,36)(H,34,37) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P2 expressed in CHO-K1 cells by scintillation counter |
Bioorg Med Chem Lett 25: 4387-92 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Rattus norvegicus (Rat)) | BDBM50120582
(CHEMBL3618199)Show SMILES CS(=O)(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC3)c3ccc(F)cc3)cc(Oc3ccc(F)cc3)c2)cc1 Show InChI InChI=1S/C31H28F2N2O6S/c1-42(38,39)29-12-10-26(11-13-29)41-28-19-24(18-27(20-28)40-25-8-6-23(33)7-9-25)34-30(36)35-16-14-31(37,15-17-35)21-2-4-22(32)5-3-21/h2-13,18-20,37H,14-17H2,1H3,(H,34,36) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay |
Bioorg Med Chem Lett 25: 4387-92 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Rattus norvegicus (Rat)) | BDBM50065611
(CHEMBL3401383)Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C(N)=O)c1 Show InChI InChI=1S/C31H36FN3O5/c1-3-21(4-2)20-31(38)13-15-35(16-14-31)30(37)34-24-17-27(39-25-9-5-22(6-10-25)29(33)36)19-28(18-24)40-26-11-7-23(32)8-12-26/h5-12,17-19,21,38H,3-4,13-16,20H2,1-2H3,(H2,33,36)(H,34,37) | PDB
KEGG
UniProtKB/SwissProt
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 |
Ono Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay |
Bioorg Med Chem Lett 25: 4387-92 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Rattus norvegicus (Rat)) | BDBM50120583
(CHEMBL3618200)Show SMILES NS(=O)(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC3)c3ccc(F)cc3)cc(Oc3ccc(F)cc3)c2)cc1 Show InChI InChI=1S/C30H27F2N3O6S/c31-21-3-1-20(2-4-21)30(37)13-15-35(16-14-30)29(36)34-23-17-26(40-24-7-5-22(32)6-8-24)19-27(18-23)41-25-9-11-28(12-10-25)42(33,38)39/h1-12,17-19,37H,13-16H2,(H,34,36)(H2,33,38,39) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay |
Bioorg Med Chem Lett 25: 4387-92 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM149705
(US8975409, Example 9(3))Show SMILES OC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC3)c3ccc(F)cc3)cc(Oc3ccc(F)cc3)c2)cc1 Show InChI InChI=1S/C31H26F2N2O6/c32-22-5-3-21(4-6-22)31(39)13-15-35(16-14-31)30(38)34-24-17-27(40-25-9-1-20(2-10-25)29(36)37)19-28(18-24)41-26-11-7-23(33)8-12-26/h1-12,17-19,39H,13-16H2,(H,34,38)(H,36,37) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Antagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay |
Bioorg Med Chem Lett 25: 4387-92 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Rattus norvegicus (Rat)) | BDBM50120579
(CHEMBL3618196)Show SMILES NC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC3)c3ccc(Cl)cc3)cc(Oc3ccc(F)cc3)c2)cc1 Show InChI InChI=1S/C31H27ClFN3O5/c32-22-5-3-21(4-6-22)31(39)13-15-36(16-14-31)30(38)35-24-17-27(40-25-9-1-20(2-10-25)29(34)37)19-28(18-24)41-26-11-7-23(33)8-12-26/h1-12,17-19,39H,13-16H2,(H2,34,37)(H,35,38) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay |
Bioorg Med Chem Lett 25: 4387-92 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Rattus norvegicus (Rat)) | BDBM50120581
(CHEMBL3618198)Show SMILES OC1(CCN(CC1)C(=O)Nc1cc(Oc2ccncc2)cc(Oc2ccc(F)cc2)c1)c1ccc(F)cc1 Show InChI InChI=1S/C29H25F2N3O4/c30-21-3-1-20(2-4-21)29(36)11-15-34(16-12-29)28(35)33-23-17-26(37-24-7-5-22(31)6-8-24)19-27(18-23)38-25-9-13-32-14-10-25/h1-10,13-14,17-19,36H,11-12,15-16H2,(H,33,35) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay |
Bioorg Med Chem Lett 25: 4387-92 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Rattus norvegicus (Rat)) | BDBM50120580
(CHEMBL3618197)Show SMILES NC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC3)c3ccc(F)cc3)cc(Oc3ccc(F)cc3)c2)cc1 Show InChI InChI=1S/C31H27F2N3O5/c32-22-5-3-21(4-6-22)31(39)13-15-36(16-14-31)30(38)35-24-17-27(40-25-9-1-20(2-10-25)29(34)37)19-28(18-24)41-26-11-7-23(33)8-12-26/h1-12,17-19,39H,13-16H2,(H2,34,37)(H,35,38) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay |
Bioorg Med Chem Lett 25: 4387-92 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50120582
(CHEMBL3618199)Show SMILES CS(=O)(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC3)c3ccc(F)cc3)cc(Oc3ccc(F)cc3)c2)cc1 Show InChI InChI=1S/C31H28F2N2O6S/c1-42(38,39)29-12-10-26(11-13-29)41-28-19-24(18-27(20-28)40-25-8-6-23(33)7-9-25)34-30(36)35-16-14-31(37,15-17-35)21-2-4-22(32)5-3-21/h2-13,18-20,37H,14-17H2,1H3,(H,34,36) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Antagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay |
Bioorg Med Chem Lett 25: 4387-92 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50120583
(CHEMBL3618200)Show SMILES NS(=O)(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC3)c3ccc(F)cc3)cc(Oc3ccc(F)cc3)c2)cc1 Show InChI InChI=1S/C30H27F2N3O6S/c31-21-3-1-20(2-4-21)30(37)13-15-35(16-14-30)29(36)34-23-17-26(40-24-7-5-22(32)6-8-24)19-27(18-23)41-25-9-11-28(12-10-25)42(33,38)39/h1-12,17-19,37H,13-16H2,(H,34,36)(H2,33,38,39) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Antagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay |
Bioorg Med Chem Lett 25: 4387-92 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50065611
(CHEMBL3401383)Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C(N)=O)c1 Show InChI InChI=1S/C31H36FN3O5/c1-3-21(4-2)20-31(38)13-15-35(16-14-31)30(37)34-24-17-27(39-25-9-5-22(6-10-25)29(33)36)19-28(18-24)40-26-11-7-23(32)8-12-26/h5-12,17-19,21,38H,3-4,13-16,20H2,1-2H3,(H2,33,36)(H,34,37) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Antagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay |
Bioorg Med Chem Lett 25: 4387-92 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Rattus norvegicus (Rat)) | BDBM50120513
(CHEMBL3618189)Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(F)cc(c1)C(F)(F)F Show InChI InChI=1S/C19H26F4N2O2/c1-3-13(4-2)12-18(27)5-7-25(8-6-18)17(26)24-16-10-14(19(21,22)23)9-15(20)11-16/h9-11,13,27H,3-8,12H2,1-2H3,(H,24,26) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay |
Bioorg Med Chem Lett 25: 4387-92 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50120580
(CHEMBL3618197)Show SMILES NC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC3)c3ccc(F)cc3)cc(Oc3ccc(F)cc3)c2)cc1 Show InChI InChI=1S/C31H27F2N3O5/c32-22-5-3-21(4-6-22)31(39)13-15-36(16-14-31)30(38)35-24-17-27(40-25-9-1-20(2-10-25)29(34)37)19-28(18-24)41-26-11-7-23(33)8-12-26/h1-12,17-19,39H,13-16H2,(H2,34,37)(H,35,38) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Antagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay |
Bioorg Med Chem Lett 25: 4387-92 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50120579
(CHEMBL3618196)Show SMILES NC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC3)c3ccc(Cl)cc3)cc(Oc3ccc(F)cc3)c2)cc1 Show InChI InChI=1S/C31H27ClFN3O5/c32-22-5-3-21(4-6-22)31(39)13-15-36(16-14-31)30(38)35-24-17-27(40-25-9-1-20(2-10-25)29(34)37)19-28(18-24)41-26-11-7-23(33)8-12-26/h1-12,17-19,39H,13-16H2,(H2,34,37)(H,35,38) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Antagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay |
Bioorg Med Chem Lett 25: 4387-92 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50120581
(CHEMBL3618198)Show SMILES OC1(CCN(CC1)C(=O)Nc1cc(Oc2ccncc2)cc(Oc2ccc(F)cc2)c1)c1ccc(F)cc1 Show InChI InChI=1S/C29H25F2N3O4/c30-21-3-1-20(2-4-21)29(36)11-15-34(16-12-29)28(35)33-23-17-26(37-24-7-5-22(31)6-8-24)19-27(18-23)38-25-9-13-32-14-10-25/h1-10,13-14,17-19,36H,11-12,15-16H2,(H,33,35) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 123 | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Antagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay |
Bioorg Med Chem Lett 25: 4387-92 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM149705
(US8975409, Example 9(3))Show SMILES OC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC3)c3ccc(F)cc3)cc(Oc3ccc(F)cc3)c2)cc1 Show InChI InChI=1S/C31H26F2N2O6/c32-22-5-3-21(4-6-22)31(39)13-15-35(16-14-31)30(38)34-24-17-27(40-25-9-1-20(2-10-25)29(36)37)19-28(18-24)41-26-11-7-23(33)8-12-26/h1-12,17-19,39H,13-16H2,(H,34,38)(H,36,37) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P2 expressed in CHO-K1 cells by scintillation counter |
Bioorg Med Chem Lett 25: 4387-92 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Rattus norvegicus (Rat)) | BDBM50120514
(CHEMBL3618190)Show SMILES OC1(CCN(CC1)C(=O)Nc1cc(F)cc(c1)C(F)(F)F)c1ccc(Br)cc1 Show InChI InChI=1S/C19H17BrF4N2O2/c20-14-3-1-12(2-4-14)18(28)5-7-26(8-6-18)17(27)25-16-10-13(19(22,23)24)9-15(21)11-16/h1-4,9-11,28H,5-8H2,(H,25,27) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 690 | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay |
Bioorg Med Chem Lett 25: 4387-92 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50120574
(CHEMBL3618191)Show SMILES CCC(CC)CC1(O)CCN(CC1)c1nc2c(F)cc(cc2[nH]1)C(F)(F)F Show InChI InChI=1S/C19H25F4N3O/c1-3-12(4-2)11-18(27)5-7-26(8-6-18)17-24-15-10-13(19(21,22)23)9-14(20)16(15)25-17/h9-10,12,27H,3-8,11H2,1-2H3,(H,24,25) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Antagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay |
Bioorg Med Chem Lett 25: 4387-92 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50120513
(CHEMBL3618189)Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(F)cc(c1)C(F)(F)F Show InChI InChI=1S/C19H26F4N2O2/c1-3-13(4-2)12-18(27)5-7-25(8-6-18)17(26)24-16-10-14(19(21,22)23)9-15(20)11-16/h9-11,13,27H,3-8,12H2,1-2H3,(H,24,26) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Antagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay |
Bioorg Med Chem Lett 25: 4387-92 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50120514
(CHEMBL3618190)Show SMILES OC1(CCN(CC1)C(=O)Nc1cc(F)cc(c1)C(F)(F)F)c1ccc(Br)cc1 Show InChI InChI=1S/C19H17BrF4N2O2/c20-14-3-1-12(2-4-14)18(28)5-7-26(8-6-18)17(27)25-16-10-13(19(22,23)24)9-15(21)11-16/h1-4,9-11,28H,5-8H2,(H,25,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Antagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay |
Bioorg Med Chem Lett 25: 4387-92 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50120575
(CHEMBL3618192)Show SMILES OC1(CCN(CC1)C(=O)Nc1cc(F)cc(c1)C(F)(F)F)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H17ClF4N2O2/c20-14-3-1-12(2-4-14)18(28)5-7-26(8-6-18)17(27)25-16-10-13(19(22,23)24)9-15(21)11-16/h1-4,9-11,28H,5-8H2,(H,25,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Antagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay |
Bioorg Med Chem Lett 25: 4387-92 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50120576
(CHEMBL3618193)Show SMILES OC1(CCN(CC1)C(=O)Nc1cc(F)cc(c1)C(F)(F)F)c1ccc(F)cc1 Show InChI InChI=1S/C19H17F5N2O2/c20-14-3-1-12(2-4-14)18(28)5-7-26(8-6-18)17(27)25-16-10-13(19(22,23)24)9-15(21)11-16/h1-4,9-11,28H,5-8H2,(H,25,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Antagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay |
Bioorg Med Chem Lett 25: 4387-92 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM149705
(US8975409, Example 9(3))Show SMILES OC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC3)c3ccc(F)cc3)cc(Oc3ccc(F)cc3)c2)cc1 Show InChI InChI=1S/C31H26F2N2O6/c32-22-5-3-21(4-6-22)31(39)13-15-35(16-14-31)30(38)34-24-17-27(40-25-9-1-20(2-10-25)29(36)37)19-28(18-24)41-26-11-7-23(33)8-12-26/h1-12,17-19,39H,13-16H2,(H,34,38)(H,36,37) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P3 expressed in CHO-K1 cells by scintillation counter |
Bioorg Med Chem Lett 25: 4387-92 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM149705
(US8975409, Example 9(3))Show SMILES OC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC3)c3ccc(F)cc3)cc(Oc3ccc(F)cc3)c2)cc1 Show InChI InChI=1S/C31H26F2N2O6/c32-22-5-3-21(4-6-22)31(39)13-15-35(16-14-31)30(38)34-24-17-27(40-25-9-1-20(2-10-25)29(36)37)19-28(18-24)41-26-11-7-23(33)8-12-26/h1-12,17-19,39H,13-16H2,(H,34,38)(H,36,37) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P1 expressed in CHO-K1 cells by scintillation counter |
Bioorg Med Chem Lett 25: 4387-92 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM149705
(US8975409, Example 9(3))Show SMILES OC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC3)c3ccc(F)cc3)cc(Oc3ccc(F)cc3)c2)cc1 Show InChI InChI=1S/C31H26F2N2O6/c32-22-5-3-21(4-6-22)31(39)13-15-35(16-14-31)30(38)34-24-17-27(40-25-9-1-20(2-10-25)29(36)37)19-28(18-24)41-26-11-7-23(33)8-12-26/h1-12,17-19,39H,13-16H2,(H,34,38)(H,36,37) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P5 expressed in CHO-K1 cells by scintillation counter |
Bioorg Med Chem Lett 25: 4387-92 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM149705
(US8975409, Example 9(3))Show SMILES OC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC3)c3ccc(F)cc3)cc(Oc3ccc(F)cc3)c2)cc1 Show InChI InChI=1S/C31H26F2N2O6/c32-22-5-3-21(4-6-22)31(39)13-15-35(16-14-31)30(38)34-24-17-27(40-25-9-1-20(2-10-25)29(36)37)19-28(18-24)41-26-11-7-23(33)8-12-26/h1-12,17-19,39H,13-16H2,(H,34,38)(H,36,37) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P4 expressed in CHO-K1 cells by scintillation counter |
Bioorg Med Chem Lett 25: 4387-92 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50120577
(CHEMBL3618194)Show SMILES Fc1cc(NC(=O)N2CCC(F)(CC2)c2ccc(Br)cc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C19H16BrF5N2O/c20-14-3-1-12(2-4-14)18(22)5-7-27(8-6-18)17(28)26-16-10-13(19(23,24)25)9-15(21)11-16/h1-4,9-11H,5-8H2,(H,26,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Antagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay |
Bioorg Med Chem Lett 25: 4387-92 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50120578
(CHEMBL3618195)Show SMILES Fc1cc(NC(=O)N2CCC(CC2)c2ccc(Br)cc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C19H17BrF4N2O/c20-15-3-1-12(2-4-15)13-5-7-26(8-6-13)18(27)25-17-10-14(19(22,23)24)9-16(21)11-17/h1-4,9-11,13H,5-8H2,(H,25,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Antagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay |
Bioorg Med Chem Lett 25: 4387-92 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.022
BindingDB Entry DOI: 10.7270/Q2SX6G1K |
More data for this
Ligand-Target Pair | |
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