BDBM313343 US10166249, Example 577::US10166249, Example 578

SMILES: CCCCC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1

InChI Key: InChIKey=MIZQPXKWXPQUSV-RMSVRTADSA-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 = 313343   

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))	BDBM313343 (US10166249, Example 577 | US10166249, Example 578) Show SMILES CCCCC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C20H32NO4P/c1-2-3-4-15-5-6-17-12-18(8-7-16(17)11-15)19-9-10-20(21,13-19)14-25-26(22,23)24/h7-8,12,15,19H,2-6,9-11,13-14,21H2,1H3,(H2,22,23,24)/t15?,19-,20+/m0/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))	BDBM313343 (US10166249, Example 577 | US10166249, Example 578) Show SMILES CCCCC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C20H32NO4P/c1-2-3-4-15-5-6-17-12-18(8-7-16(17)11-15)19-9-10-20(21,13-19)14-25-26(22,23)24/h7-8,12,15,19H,2-6,9-11,13-14,21H2,1H3,(H2,22,23,24)/t15?,19-,20+/m0/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))	BDBM313343 (US10166249, Example 577 | US10166249, Example 578) Show SMILES CCCCC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C20H32NO4P/c1-2-3-4-15-5-6-17-12-18(8-7-16(17)11-15)19-9-10-20(21,13-19)14-25-26(22,23)24/h7-8,12,15,19H,2-6,9-11,13-14,21H2,1H3,(H2,22,23,24)/t15?,19-,20+/m0/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))	BDBM313343 (US10166249, Example 577 | US10166249, Example 578) Show SMILES CCCCC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C20H32NO4P/c1-2-3-4-15-5-6-17-12-18(8-7-16(17)11-15)19-9-10-20(21,13-19)14-25-26(22,23)24/h7-8,12,15,19H,2-6,9-11,13-14,21H2,1H3,(H2,22,23,24)/t15?,19-,20+/m0/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))	BDBM313343 (US10166249, Example 577 | US10166249, Example 578) Show SMILES CCCCC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C20H32NO4P/c1-2-3-4-15-5-6-17-12-18(8-7-16(17)11-15)19-9-10-20(21,13-19)14-25-26(22,23)24/h7-8,12,15,19H,2-6,9-11,13-14,21H2,1H3,(H2,22,23,24)/t15?,19-,20+/m0/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))	BDBM313343 (US10166249, Example 577 | US10166249, Example 578) Show SMILES CCCCC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C20H32NO4P/c1-2-3-4-15-5-6-17-12-18(8-7-16(17)11-15)19-9-10-20(21,13-19)14-25-26(22,23)24/h7-8,12,15,19H,2-6,9-11,13-14,21H2,1H3,(H2,22,23,24)/t15?,19-,20+/m0/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))	BDBM313343 (US10166249, Example 577 | US10166249, Example 578) Show SMILES CCCCC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C20H32NO4P/c1-2-3-4-15-5-6-17-12-18(8-7-16(17)11-15)19-9-10-20(21,13-19)14-25-26(22,23)24/h7-8,12,15,19H,2-6,9-11,13-14,21H2,1H3,(H2,22,23,24)/t15?,19-,20+/m0/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))	BDBM313343 (US10166249, Example 577 | US10166249, Example 578) Show SMILES CCCCC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C20H32NO4P/c1-2-3-4-15-5-6-17-12-18(8-7-16(17)11-15)19-9-10-20(21,13-19)14-25-26(22,23)24/h7-8,12,15,19H,2-6,9-11,13-14,21H2,1H3,(H2,22,23,24)/t15?,19-,20+/m0/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