BDBM451421 US10709719, Example 668

SMILES: CCCCS(=O)N[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1

InChI Key: InChIKey=HZKHPCQKDCTMTB-KIVAYBLUSA-N

Data: 3 IC50

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 3 hits for monomerid = 451421   

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 receptor 1 (Homo sapiens (Human))	BDBM451421 (US10709719, Example 668) Show SMILES CCCCS(=O)N[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C20H33N2O5PS/c1-2-3-10-29(26)22-19-7-6-15-11-16(4-5-17(15)12-19)18-8-9-20(21,13-18)14-27-28(23,24)25/h4-5,11,18-19,22H,2-3,6-10,12-14,21H2,1H3,(H2,23,24,25)/t18-,19+,20+,29?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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 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))	BDBM451421 (US10709719, Example 668) Show SMILES CCCCS(=O)N[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C20H33N2O5PS/c1-2-3-10-29(26)22-19-7-6-15-11-16(4-5-17(15)12-19)18-8-9-20(21,13-18)14-27-28(23,24)25/h4-5,11,18-19,22H,2-3,6-10,12-14,21H2,1H3,(H2,23,24,25)/t18-,19+,20+,29?/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	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))	BDBM451421 (US10709719, Example 668) Show SMILES CCCCS(=O)N[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C20H33N2O5PS/c1-2-3-10-29(26)22-19-7-6-15-11-16(4-5-17(15)12-19)18-8-9-20(21,13-18)14-27-28(23,24)25/h4-5,11,18-19,22H,2-3,6-10,12-14,21H2,1H3,(H2,23,24,25)/t18-,19+,20+,29?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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 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