Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM65133'   

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 3 (Homo sapiens (Human))	BDBM65133 (US10166249, Example 490 | US9522888, 490) Show SMILES CN(C)Cc1cccc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r| Show InChI InChI=1S/C26H37N2O5P/c1-28(2)16-19-4-3-5-25(13-19)32-17-20-6-7-22-14-23(9-8-21(22)12-20)24-10-11-26(27,15-24)18-33-34(29,30)31/h3-5,8-9,13-14,20,24H,6-7,10-12,15-18,27H2,1-2H3,(H2,29,30,31)/t20-,24+,26-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	>625	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Compounds were loaded in a 384 Falcon v-bottom plate (0.5 l/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Gal5...				US Patent US10166249 (2019) BindingDB Entry DOI: 10.7270/Q2S75JCM
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM65133 (US10166249, Example 490 | US9522888, 490) Show SMILES CN(C)Cc1cccc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r| Show InChI InChI=1S/C26H37N2O5P/c1-28(2)16-19-4-3-5-25(13-19)32-17-20-6-7-22-14-23(9-8-21(22)12-20)24-10-11-26(27,15-24)18-33-34(29,30)31/h3-5,8-9,13-14,20,24H,6-7,10-12,15-18,27H2,1-2H3,(H2,29,30,31)/t20-,24+,26-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	>625	n/a	n/a	n/a	60
Bristol-Myers Squibb Company US Patent					Assay Description Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Gal...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair