BDBM313271 US10166249, Example 505::US10166249, Example 506

SMILES: CCCCSCC1CCc2cc(ccc2C1)[C@@H]1CC[C@](N)(COP(O)(O)=O)C1

InChI Key: InChIKey=FWSDYLBQWVYJAK-FPDAJAHMSA-N

Data: 2 IC50  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 8 hits for monomerid = 313271   

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 lyase 1 (Homo sapiens (Human))	BDBM313271 (US10166249, Example 505 | US10166249, Example 506) Show SMILES CCCCSCC1CCc2cc(ccc2C1)[C@@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C21H34NO4PS/c1-2-3-10-28-14-16-4-5-18-12-19(7-6-17(18)11-16)20-8-9-21(22,13-20)15-26-27(23,24)25/h6-7,12,16,20H,2-5,8-11,13-15,22H2,1H3,(H2,23,24,25)/t16?,20-,21-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1×109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...				US Patent US10166249 (2019) BindingDB Entry DOI: 10.7270/Q2S75JCM
					More data for this Ligand-Target Pair
Sphingosine-1-phosphate lyase 1 (Homo sapiens (Human))	BDBM313271 (US10166249, Example 505 | US10166249, Example 506) Show SMILES CCCCSCC1CCc2cc(ccc2C1)[C@@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C21H34NO4PS/c1-2-3-10-28-14-16-4-5-18-12-19(7-6-17(18)11-16)20-8-9-21(22,13-20)15-26-27(23,24)25/h6-7,12,16,20H,2-5,8-11,13-15,22H2,1H3,(H2,23,24,25)/t16?,20-,21-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	55	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 lyase 1 (Homo sapiens (Human))	BDBM313271 (US10166249, Example 505 | US10166249, Example 506) Show SMILES CCCCSCC1CCc2cc(ccc2C1)[C@@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C21H34NO4PS/c1-2-3-10-28-14-16-4-5-18-12-19(7-6-17(18)11-16)20-8-9-21(22,13-20)15-26-27(23,24)25/h6-7,12,16,20H,2-5,8-11,13-15,22H2,1H3,(H2,23,24,25)/t16?,20-,21-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a
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 US10166249 (2019) BindingDB Entry DOI: 10.7270/Q2S75JCM
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM313271 (US10166249, Example 505 | US10166249, Example 506) Show SMILES CCCCSCC1CCc2cc(ccc2C1)[C@@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C21H34NO4PS/c1-2-3-10-28-14-16-4-5-18-12-19(7-6-17(18)11-16)20-8-9-21(22,13-20)15-26-27(23,24)25/h6-7,12,16,20H,2-5,8-11,13-15,22H2,1H3,(H2,23,24,25)/t16?,20-,21-/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 lyase 1 (Homo sapiens (Human))	BDBM313271 (US10166249, Example 505 | US10166249, Example 506) Show SMILES CCCCSCC1CCc2cc(ccc2C1)[C@@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C21H34NO4PS/c1-2-3-10-28-14-16-4-5-18-12-19(7-6-17(18)11-16)20-8-9-21(22,13-20)15-26-27(23,24)25/h6-7,12,16,20H,2-5,8-11,13-15,22H2,1H3,(H2,23,24,25)/t16?,20-,21-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1×109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...				US Patent US10166249 (2019) BindingDB Entry DOI: 10.7270/Q2S75JCM
					More data for this Ligand-Target Pair
Sphingosine-1-phosphate lyase 1 (Homo sapiens (Human))	BDBM313271 (US10166249, Example 505 | US10166249, Example 506) Show SMILES CCCCSCC1CCc2cc(ccc2C1)[C@@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C21H34NO4PS/c1-2-3-10-28-14-16-4-5-18-12-19(7-6-17(18)11-16)20-8-9-21(22,13-20)15-26-27(23,24)25/h6-7,12,16,20H,2-5,8-11,13-15,22H2,1H3,(H2,23,24,25)/t16?,20-,21-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<10	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 lyase 1 (Homo sapiens (Human))	BDBM313271 (US10166249, Example 505 | US10166249, Example 506) Show SMILES CCCCSCC1CCc2cc(ccc2C1)[C@@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C21H34NO4PS/c1-2-3-10-28-14-16-4-5-18-12-19(7-6-17(18)11-16)20-8-9-21(22,13-20)15-26-27(23,24)25/h6-7,12,16,20H,2-5,8-11,13-15,22H2,1H3,(H2,23,24,25)/t16?,20-,21-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<10	n/a	n/a	n/a	n/a
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 US10166249 (2019) BindingDB Entry DOI: 10.7270/Q2S75JCM
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM313271 (US10166249, Example 505 | US10166249, Example 506) Show SMILES CCCCSCC1CCc2cc(ccc2C1)[C@@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C21H34NO4PS/c1-2-3-10-28-14-16-4-5-18-12-19(7-6-17(18)11-16)20-8-9-21(22,13-20)15-26-27(23,24)25/h6-7,12,16,20H,2-5,8-11,13-15,22H2,1H3,(H2,23,24,25)/t16?,20-,21-/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