BDBM506621 US11046646, Example 18

SMILES: CCCCCCCCc1ccc(cc1)N1CCC(N)(COP(O)(O)=O)C1=O

InChI Key: InChIKey=ALQUNKNFOXDXRR-UHFFFAOYSA-N

Data: 2 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 506621   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM506621 (US11046646, Example 18) Show SMILES CCCCCCCCc1ccc(cc1)N1CCC(N)(COP(O)(O)=O)C1=O Show InChI InChI=1S/C19H31N2O5P/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)21-14-13-19(20,18(21)22)15-26-27(23,24)25/h9-12H,2-8,13-15,20H2,1H3,(H2,23,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>6.00E+4	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 μL/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG...				US Patent US11046646 (2021)
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM506621 (US11046646, Example 18) Show SMILES CCCCCCCCc1ccc(cc1)N1CCC(N)(COP(O)(O)=O)C1=O Show InChI InChI=1S/C19H31N2O5P/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)21-14-13-19(20,18(21)22)15-26-27(23,24)25/h9-12H,2-8,13-15,20H2,1H3,(H2,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	454	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 US11046646 (2021)
					More data for this Ligand-Target Pair