Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM65138'   

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))	BDBM65138 (US10166249, Example 495 | US9522888, 495) Show SMILES CN(C)C(=O)c1cccc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r| Show InChI InChI=1S/C26H35N2O6P/c1-28(2)25(29)22-4-3-5-24(14-22)33-16-18-6-7-20-13-21(9-8-19(20)12-18)23-10-11-26(27,15-23)17-34-35(30,31)32/h3-5,8-9,13-14,18,23H,6-7,10-12,15-17,27H2,1-2H3,(H2,30,31,32)/t18-,23+,26-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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))	BDBM65138 (US10166249, Example 495 | US9522888, 495) Show SMILES CN(C)C(=O)c1cccc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r| Show InChI InChI=1S/C26H35N2O6P/c1-28(2)25(29)22-4-3-5-24(14-22)33-16-18-6-7-20-13-21(9-8-19(20)12-18)23-10-11-26(27,15-23)17-34-35(30,31)32/h3-5,8-9,13-14,18,23H,6-7,10-12,15-17,27H2,1-2H3,(H2,30,31,32)/t18-,23+,26-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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