BDBM50080558 CHEMBL3126601::US9617250, Example 1

SMILES: CCc1cc(ccn1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1

InChI Key: InChIKey=GXTJJKTVNPGWLJ-IBGZPJMESA-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 = 50080558   

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 3 (Homo sapiens (Human))	BDBM50080558 (CHEMBL3126601 | US9617250, Example 1) Show SMILES CCc1cc(ccn1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r| Show InChI InChI=1S/C23H28N4O5/c1-4-15-9-17(8-14(3)21(15)31-13-19(29)11-25-20(30)12-28)22-26-23(32-27-22)16-6-7-24-18(5-2)10-16/h6-10,19,28-29H,4-5,11-13H2,1-3H3,(H,25,30)/t19-/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	9.95E+3	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))	BDBM50080558 (CHEMBL3126601 | US9617250, Example 1) Show SMILES CCc1cc(ccn1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r| Show InChI InChI=1S/C23H28N4O5/c1-4-15-9-17(8-14(3)21(15)31-13-19(29)11-25-20(30)12-28)22-26-23(32-27-22)16-6-7-24-18(5-2)10-16/h6-10,19,28-29H,4-5,11-13H2,1-3H3,(H,25,30)/t19-/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	2.10	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 1 (Homo sapiens (Human))	BDBM50080558 (CHEMBL3126601 | US9617250, Example 1) Show SMILES CCc1cc(ccn1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r| Show InChI InChI=1S/C23H28N4O5/c1-4-15-9-17(8-14(3)21(15)31-13-19(29)11-25-20(30)12-28)22-26-23(32-27-22)16-6-7-24-18(5-2)10-16/h6-10,19,28-29H,4-5,11-13H2,1-3H3,(H,25,30)/t19-/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	2.10	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))	BDBM50080558 (CHEMBL3126601 | US9617250, Example 1) Show SMILES CCc1cc(ccn1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r| Show InChI InChI=1S/C23H28N4O5/c1-4-15-9-17(8-14(3)21(15)31-13-19(29)11-25-20(30)12-28)22-26-23(32-27-22)16-6-7-24-18(5-2)10-16/h6-10,19,28-29H,4-5,11-13H2,1-3H3,(H,25,30)/t19-/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	9.95E+3	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))	BDBM50080558 (CHEMBL3126601 | US9617250, Example 1) Show SMILES CCc1cc(ccn1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r| Show InChI InChI=1S/C23H28N4O5/c1-4-15-9-17(8-14(3)21(15)31-13-19(29)11-25-20(30)12-28)22-26-23(32-27-22)16-6-7-24-18(5-2)10-16/h6-10,19,28-29H,4-5,11-13H2,1-3H3,(H,25,30)/t19-/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	9.95E+3	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))	BDBM50080558 (CHEMBL3126601 | US9617250, Example 1) Show SMILES CCc1cc(ccn1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r| Show InChI InChI=1S/C23H28N4O5/c1-4-15-9-17(8-14(3)21(15)31-13-19(29)11-25-20(30)12-28)22-26-23(32-27-22)16-6-7-24-18(5-2)10-16/h6-10,19,28-29H,4-5,11-13H2,1-3H3,(H,25,30)/t19-/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	2.10	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