BDBM50080559 CHEMBL3126433::US9617250, Example 8

SMILES: CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1ccnc(c1)C1CCCC1

InChI Key: InChIKey=XRJPXSNXMMSPIZ-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 = 50080559   

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))	BDBM50080559 (CHEMBL3126433 | US9617250, Example 8) Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1ccnc(c1)C1CCCC1 |r| Show InChI InChI=1S/C26H32N4O5/c1-3-17-11-20(10-16(2)24(17)34-15-21(32)13-28-23(33)14-31)25-29-26(35-30-25)19-8-9-27-22(12-19)18-6-4-5-7-18/h8-12,18,21,31-32H,3-7,13-15H2,1-2H3,(H,28,33)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.100	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))	BDBM50080559 (CHEMBL3126433 | US9617250, Example 8) Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1ccnc(c1)C1CCCC1 |r| Show InChI InChI=1S/C26H32N4O5/c1-3-17-11-20(10-16(2)24(17)34-15-21(32)13-28-23(33)14-31)25-29-26(35-30-25)19-8-9-27-22(12-19)18-6-4-5-7-18/h8-12,18,21,31-32H,3-7,13-15H2,1-2H3,(H,28,33)/t21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	736	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 3 (Homo sapiens (Human))	BDBM50080559 (CHEMBL3126433 | US9617250, Example 8) Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1ccnc(c1)C1CCCC1 |r| Show InChI InChI=1S/C26H32N4O5/c1-3-17-11-20(10-16(2)24(17)34-15-21(32)13-28-23(33)14-31)25-29-26(35-30-25)19-8-9-27-22(12-19)18-6-4-5-7-18/h8-12,18,21,31-32H,3-7,13-15H2,1-2H3,(H,28,33)/t21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	736	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 3 (Homo sapiens (Human))	BDBM50080559 (CHEMBL3126433 | US9617250, Example 8) Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1ccnc(c1)C1CCCC1 |r| Show InChI InChI=1S/C26H32N4O5/c1-3-17-11-20(10-16(2)24(17)34-15-21(32)13-28-23(33)14-31)25-29-26(35-30-25)19-8-9-27-22(12-19)18-6-4-5-7-18/h8-12,18,21,31-32H,3-7,13-15H2,1-2H3,(H,28,33)/t21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	n/a	n/a	736	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 1 (Homo sapiens (Human))	BDBM50080559 (CHEMBL3126433 | US9617250, Example 8) Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1ccnc(c1)C1CCCC1 |r| Show InChI InChI=1S/C26H32N4O5/c1-3-17-11-20(10-16(2)24(17)34-15-21(32)13-28-23(33)14-31)25-29-26(35-30-25)19-8-9-27-22(12-19)18-6-4-5-7-18/h8-12,18,21,31-32H,3-7,13-15H2,1-2H3,(H,28,33)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.100	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 1 (Homo sapiens (Human))	BDBM50080559 (CHEMBL3126433 | US9617250, Example 8) Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1ccnc(c1)C1CCCC1 |r| Show InChI InChI=1S/C26H32N4O5/c1-3-17-11-20(10-16(2)24(17)34-15-21(32)13-28-23(33)14-31)25-29-26(35-30-25)19-8-9-27-22(12-19)18-6-4-5-7-18/h8-12,18,21,31-32H,3-7,13-15H2,1-2H3,(H,28,33)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	n/a	n/a	0.100	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