Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50080560'   

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 1 (Homo sapiens (Human))	BDBM50080560 (CHEMBL3126607 | US9617250, Example 7) Show SMILES CCC(CC)c1cc(ccn1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r| Show InChI InChI=1S/C26H34N4O5/c1-5-17(6-2)22-12-19(8-9-27-22)26-29-25(30-35-26)20-10-16(4)24(18(7-3)11-20)34-15-21(32)13-28-23(33)14-31/h8-12,17,21,31-32H,5-7,13-15H2,1-4H3,(H,28,33)/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	0.100	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 1 (Homo sapiens (Human))	BDBM50080560 (CHEMBL3126607 | US9617250, Example 7) Show SMILES CCC(CC)c1cc(ccn1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r| Show InChI InChI=1S/C26H34N4O5/c1-5-17(6-2)22-12-19(8-9-27-22)26-29-25(30-35-26)20-10-16(4)24(18(7-3)11-20)34-15-21(32)13-28-23(33)14-31/h8-12,17,21,31-32H,5-7,13-15H2,1-4H3,(H,28,33)/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	0.100	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))	BDBM50080560 (CHEMBL3126607 | US9617250, Example 7) Show SMILES CCC(CC)c1cc(ccn1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r| Show InChI InChI=1S/C26H34N4O5/c1-5-17(6-2)22-12-19(8-9-27-22)26-29-25(30-35-26)20-10-16(4)24(18(7-3)11-20)34-15-21(32)13-28-23(33)14-31/h8-12,17,21,31-32H,5-7,13-15H2,1-4H3,(H,28,33)/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	0.100	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