BDBM313368 US10166249, Example 605

SMILES: N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@@H](CCc3ccc4ccccc4n3)CCc2c1

InChI Key: InChIKey=TYKFWQYZKGPWDX-BNAYCWRJSA-N

Data: 1 IC50  3 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 4 hits for monomerid = 313368   

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))	BDBM313368 (US10166249, Example 605) Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@@H](CCc3ccc4ccccc4n3)CCc2c1 |r| Show InChI InChI=1S/C27H33N2O4P/c28-27(18-33-34(30,31)32)14-13-24(17-27)23-9-8-21-15-19(5-7-22(21)16-23)6-11-25-12-10-20-3-1-2-4-26(20)29-25/h1-4,8-10,12,16,19,24H,5-7,11,13-15,17-18,28H2,(H2,30,31,32)/t19-,24+,27-/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 receptor 3 (Homo sapiens (Human))	BDBM313368 (US10166249, Example 605) Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@@H](CCc3ccc4ccccc4n3)CCc2c1 |r| Show InChI InChI=1S/C27H33N2O4P/c28-27(18-33-34(30,31)32)14-13-24(17-27)23-9-8-21-15-19(5-7-22(21)16-23)6-11-25-12-10-20-3-1-2-4-26(20)29-25/h1-4,8-10,12,16,19,24H,5-7,11,13-15,17-18,28H2,(H2,30,31,32)/t19-,24+,27-/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))	BDBM313368 (US10166249, Example 605) Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@@H](CCc3ccc4ccccc4n3)CCc2c1 |r| Show InChI InChI=1S/C27H33N2O4P/c28-27(18-33-34(30,31)32)14-13-24(17-27)23-9-8-21-15-19(5-7-22(21)16-23)6-11-25-12-10-20-3-1-2-4-26(20)29-25/h1-4,8-10,12,16,19,24H,5-7,11,13-15,17-18,28H2,(H2,30,31,32)/t19-,24+,27-/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 lyase 1 (Homo sapiens (Human))	BDBM313368 (US10166249, Example 605) Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@@H](CCc3ccc4ccccc4n3)CCc2c1 |r| Show InChI InChI=1S/C27H33N2O4P/c28-27(18-33-34(30,31)32)14-13-24(17-27)23-9-8-21-15-19(5-7-22(21)16-23)6-11-25-12-10-20-3-1-2-4-26(20)29-25/h1-4,8-10,12,16,19,24H,5-7,11,13-15,17-18,28H2,(H2,30,31,32)/t19-,24+,27-/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