null

SMILES: COc1cccc(OCC2CCc3cc(ccc3C2)[C@@H]2CC[C@](N)(COP(O)(O)=O)C2)c1

InChI Key: InChIKey=LXEVGUDWNJFVRH-DYAPCMDWSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 313181   

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))	BDBM313181 (US10166249, Example 701 | US10709719, Example 702 ...) Show SMILES COc1cccc(OCC2CCc3cc(ccc3C2)[C@@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r| Show InChI InChI=1S/C24H32NO6P/c1-29-22-3-2-4-23(13-22)30-15-17-5-6-19-12-20(8-7-18(19)11-17)21-9-10-24(25,14-21)16-31-32(26,27)28/h2-4,7-8,12-13,17,21H,5-6,9-11,14-16,25H2,1H3,(H2,26,27,28)/t17?,21-,24-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	48.7	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))	BDBM313181 (US10166249, Example 701 | US10709719, Example 702 ...) Show SMILES COc1cccc(OCC2CCc3cc(ccc3C2)[C@@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r| Show InChI InChI=1S/C24H32NO6P/c1-29-22-3-2-4-23(13-22)30-15-17-5-6-19-12-20(8-7-18(19)11-17)21-9-10-24(25,14-21)16-31-32(26,27)28/h2-4,7-8,12-13,17,21H,5-6,9-11,14-16,25H2,1H3,(H2,26,27,28)/t17?,21-,24-/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	133	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))	BDBM313181 (US10166249, Example 701 | US10709719, Example 702 ...) Show SMILES COc1cccc(OCC2CCc3cc(ccc3C2)[C@@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r| Show InChI InChI=1S/C24H32NO6P/c1-29-22-3-2-4-23(13-22)30-15-17-5-6-19-12-20(8-7-18(19)11-17)21-9-10-24(25,14-21)16-31-32(26,27)28/h2-4,7-8,12-13,17,21H,5-6,9-11,14-16,25H2,1H3,(H2,26,27,28)/t17?,21-,24-/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	>1.25E+3	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 1 (Homo sapiens (Human))	BDBM313181 (US10166249, Example 701 | US10709719, Example 702 ...) Show SMILES COc1cccc(OCC2CCc3cc(ccc3C2)[C@@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r| Show InChI InChI=1S/C24H32NO6P/c1-29-22-3-2-4-23(13-22)30-15-17-5-6-19-12-20(8-7-18(19)11-17)21-9-10-24(25,14-21)16-31-32(26,27)28/h2-4,7-8,12-13,17,21H,5-6,9-11,14-16,25H2,1H3,(H2,26,27,28)/t17?,21-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	48.7	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description GTPγS:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO c...				US Patent US10709719 (2020)
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM313181 (US10166249, Example 701 | US10709719, Example 702 ...) Show SMILES COc1cccc(OCC2CCc3cc(ccc3C2)[C@@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r| Show InChI InChI=1S/C24H32NO6P/c1-29-22-3-2-4-23(13-22)30-15-17-5-6-19-12-20(8-7-18(19)11-17)21-9-10-24(25,14-21)16-31-32(26,27)28/h2-4,7-8,12-13,17,21H,5-6,9-11,14-16,25H2,1H3,(H2,26,27,28)/t17?,21-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	151	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description GTPγS:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO c...				US Patent US10709719 (2020)
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM313181 (US10166249, Example 701 | US10709719, Example 702 ...) Show SMILES COc1cccc(OCC2CCc3cc(ccc3C2)[C@@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r| Show InChI InChI=1S/C24H32NO6P/c1-29-22-3-2-4-23(13-22)30-15-17-5-6-19-12-20(8-7-18(19)11-17)21-9-10-24(25,14-21)16-31-32(26,27)28/h2-4,7-8,12-13,17,21H,5-6,9-11,14-16,25H2,1H3,(H2,26,27,28)/t17?,21-,24-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	>1.25E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM313181 (US10166249, Example 701 | US10709719, Example 702 ...) Show SMILES COc1cccc(OCC2CCc3cc(ccc3C2)[C@@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r| Show InChI InChI=1S/C24H32NO6P/c1-29-22-3-2-4-23(13-22)30-15-17-5-6-19-12-20(8-7-18(19)11-17)21-9-10-24(25,14-21)16-31-32(26,27)28/h2-4,7-8,12-13,17,21H,5-6,9-11,14-16,25H2,1H3,(H2,26,27,28)/t17?,21-,24-/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	>1.25E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description GTPγS:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO c...				US Patent US10709719 (2020)
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM313181 (US10166249, Example 701 | US10709719, Example 702 ...) Show SMILES COc1cccc(OCC2CCc3cc(ccc3C2)[C@@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r| Show InChI InChI=1S/C24H32NO6P/c1-29-22-3-2-4-23(13-22)30-15-17-5-6-19-12-20(8-7-18(19)11-17)21-9-10-24(25,14-21)16-31-32(26,27)28/h2-4,7-8,12-13,17,21H,5-6,9-11,14-16,25H2,1H3,(H2,26,27,28)/t17?,21-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description GTPγS:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO c...				US Patent US10709719 (2020)
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM313181 (US10166249, Example 701 | US10709719, Example 702 ...) Show SMILES COc1cccc(OCC2CCc3cc(ccc3C2)[C@@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r| Show InChI InChI=1S/C24H32NO6P/c1-29-22-3-2-4-23(13-22)30-15-17-5-6-19-12-20(8-7-18(19)11-17)21-9-10-24(25,14-21)16-31-32(26,27)28/h2-4,7-8,12-13,17,21H,5-6,9-11,14-16,25H2,1H3,(H2,26,27,28)/t17?,21-,24-/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 GTPγS:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO c...				US Patent US10709719 (2020)
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Mus musculus (Mouse))	BDBM313181 (US10166249, Example 701 | US10709719, Example 702 ...) Show SMILES COc1cccc(OCC2CCc3cc(ccc3C2)[C@@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r| Show InChI InChI=1S/C24H32NO6P/c1-29-22-3-2-4-23(13-22)30-15-17-5-6-19-12-20(8-7-18(19)11-17)21-9-10-24(25,14-21)16-31-32(26,27)28/h2-4,7-8,12-13,17,21H,5-6,9-11,14-16,25H2,1H3,(H2,26,27,28)/t17?,21-,24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	48.7	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Mus musculus (Mouse))	BDBM313181 (US10166249, Example 701 | US10709719, Example 702 ...) Show SMILES COc1cccc(OCC2CCc3cc(ccc3C2)[C@@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r| Show InChI InChI=1S/C24H32NO6P/c1-29-22-3-2-4-23(13-22)30-15-17-5-6-19-12-20(8-7-18(19)11-17)21-9-10-24(25,14-21)16-31-32(26,27)28/h2-4,7-8,12-13,17,21H,5-6,9-11,14-16,25H2,1H3,(H2,26,27,28)/t17?,21-,24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	133	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM313181 (US10166249, Example 701 | US10709719, Example 702 ...) Show SMILES COc1cccc(OCC2CCc3cc(ccc3C2)[C@@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r| Show InChI InChI=1S/C24H32NO6P/c1-29-22-3-2-4-23(13-22)30-15-17-5-6-19-12-20(8-7-18(19)11-17)21-9-10-24(25,14-21)16-31-32(26,27)28/h2-4,7-8,12-13,17,21H,5-6,9-11,14-16,25H2,1H3,(H2,26,27,28)/t17?,21-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	133	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description GTPγS:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 μl/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO c...				US Patent US10709719 (2020)
					More data for this Ligand-Target Pair