Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM65197'   

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))	BDBM65197 (US10166249, Example 538 | US9522888, 538) Show SMILES CC(C)CSCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C22H36NO4PS/c1-16(2)14-29-10-8-17-3-4-19-12-20(6-5-18(19)11-17)21-7-9-22(23,13-21)15-27-28(24,25)26/h5-6,12,16-17,21H,3-4,7-11,13-15,23H2,1-2H3,(H2,24,25,26)/t17-,21-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM65197 (US10166249, Example 538 | US9522888, 538) Show SMILES CC(C)CSCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C22H36NO4PS/c1-16(2)14-29-10-8-17-3-4-19-12-20(6-5-18(19)11-17)21-7-9-22(23,13-21)15-27-28(24,25)26/h5-6,12,16-17,21H,3-4,7-11,13-15,23H2,1-2H3,(H2,24,25,26)/t17-,21-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	<10	n/a	n/a	n/a	37
Bristol-Myers Squibb Company US Patent					Assay Description hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...				US Patent US9522888 (2016) BindingDB Entry DOI: 10.7270/Q20K27HV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM65197 (US10166249, Example 538 | US9522888, 538) Show SMILES CC(C)CSCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C22H36NO4PS/c1-16(2)14-29-10-8-17-3-4-19-12-20(6-5-18(19)11-17)21-7-9-22(23,13-21)15-27-28(24,25)26/h5-6,12,16-17,21H,3-4,7-11,13-15,23H2,1-2H3,(H2,24,25,26)/t17-,21-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	<10	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