BDBM50080570 CHEMBL3126605::US9617250, Example 5

SMILES: CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1ccnc(CC(C)C)c1

InChI Key: InChIKey=FIZLCOHGMMUGTO-NRFANRHFSA-N

Data: 6 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50080570   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50080570 (CHEMBL3126605 | US9617250, Example 5) Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1ccnc(CC(C)C)c1 |r| Show InChI InChI=1S/C25H32N4O5/c1-5-17-10-19(9-16(4)23(17)33-14-21(31)12-27-22(32)13-30)24-28-25(34-29-24)18-6-7-26-20(11-18)8-15(2)3/h6-7,9-11,15,21,30-31H,5,8,12-14H2,1-4H3,(H,27,32)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.200	n/a	n/a	n/a	n/a
Dart Neuroscience LLC Curated by ChEMBL					Assay Description Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to 35SGTP-gammaS addition measured after 1 hr ...				ACS Med Chem Lett 6: 102-3 (2015) Article DOI: 10.1021/ml500484v BindingDB Entry DOI: 10.7270/Q2S1847X
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50080570 (CHEMBL3126605 | US9617250, Example 5) Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1ccnc(CC(C)C)c1 |r| Show InChI InChI=1S/C25H32N4O5/c1-5-17-10-19(9-16(4)23(17)33-14-21(31)12-27-22(32)13-30)24-28-25(34-29-24)18-6-7-26-20(11-18)8-15(2)3/h6-7,9-11,15,21,30-31H,5,8,12-14H2,1-4H3,(H,27,32)/t21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	757	n/a	n/a	n/a	n/a
Dart Neuroscience LLC Curated by ChEMBL					Assay Description Agonist activity at human recombinant S1P3 receptor expressed in CHO cells incubated for 30 mins prior to 35SGTP-gammaS addition measured after 1 hr ...				ACS Med Chem Lett 6: 102-3 (2015) Article DOI: 10.1021/ml500484v BindingDB Entry DOI: 10.7270/Q2S1847X
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50080570 (CHEMBL3126605 | US9617250, Example 5) Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1ccnc(CC(C)C)c1 |r| Show InChI InChI=1S/C25H32N4O5/c1-5-17-10-19(9-16(4)23(17)33-14-21(31)12-27-22(32)13-30)24-28-25(34-29-24)18-6-7-26-20(11-18)8-15(2)3/h6-7,9-11,15,21,30-31H,5,8,12-14H2,1-4H3,(H,27,32)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.200	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 h...				J Med Chem 57: 110-30 (2014) Article DOI: 10.1021/jm4014696 BindingDB Entry DOI: 10.7270/Q2KK9FSV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50080570 (CHEMBL3126605 | US9617250, Example 5) Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1ccnc(CC(C)C)c1 |r| Show InChI InChI=1S/C25H32N4O5/c1-5-17-10-19(9-16(4)23(17)33-14-21(31)12-27-22(32)13-30)24-28-25(34-29-24)18-6-7-26-20(11-18)8-15(2)3/h6-7,9-11,15,21,30-31H,5,8,12-14H2,1-4H3,(H,27,32)/t21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	757	n/a	n/a	n/a	n/a
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description GTPγS binding assays are performed in 96 well microtiter plates (Nunc, 442587) in a final volume of 200 μl, using membrane preparations of ...				US Patent US9617250 (2017) BindingDB Entry DOI: 10.7270/Q2P55QKR
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50080570 (CHEMBL3126605 | US9617250, Example 5) Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1ccnc(CC(C)C)c1 |r| Show InChI InChI=1S/C25H32N4O5/c1-5-17-10-19(9-16(4)23(17)33-14-21(31)12-27-22(32)13-30)24-28-25(34-29-24)18-6-7-26-20(11-18)8-15(2)3/h6-7,9-11,15,21,30-31H,5,8,12-14H2,1-4H3,(H,27,32)/t21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	757	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Agonist activity at human recombinant S1P3 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 h...				J Med Chem 57: 110-30 (2014) Article DOI: 10.1021/jm4014696 BindingDB Entry DOI: 10.7270/Q2KK9FSV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50080570 (CHEMBL3126605 | US9617250, Example 5) Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1ccnc(CC(C)C)c1 |r| Show InChI InChI=1S/C25H32N4O5/c1-5-17-10-19(9-16(4)23(17)33-14-21(31)12-27-22(32)13-30)24-28-25(34-29-24)18-6-7-26-20(11-18)8-15(2)3/h6-7,9-11,15,21,30-31H,5,8,12-14H2,1-4H3,(H,27,32)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	0.200	n/a	n/a	n/a	n/a
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description GTPγS binding assays are performed in 96 well microtiter plates (Nunc, 442587) in a final volume of 200 μl, using membrane preparations of ...				US Patent US9617250 (2017) BindingDB Entry DOI: 10.7270/Q2P55QKR
					More data for this Ligand-Target Pair