BDBM50313496 (S)-3-amino-5-(4-(heptyloxy)phenyl)-3-methylpentanoic acid::CHEMBL1086172

SMILES: CCCCCCCOc1ccc(CC[C@](C)(N)CC(O)=O)cc1

InChI Key: InChIKey=VBYQVUKISPYLQE-IBGZPJMESA-N

Data: 1 IC50  4 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 5 hits for monomerid = 50313496   

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 5 (Homo sapiens (Human))	BDBM50313496 ((S)-3-amino-5-(4-(heptyloxy)phenyl)-3-methylpentan...) Show SMILES CCCCCCCOc1ccc(CC[C@](C)(N)CC(O)=O)cc1 |r| Show InChI InChI=1S/C19H31NO3/c1-3-4-5-6-7-14-23-17-10-8-16(9-11-17)12-13-19(2,20)15-18(21)22/h8-11H,3-7,12-15,20H2,1-2H3,(H,21,22)/t19-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonist activity at human S1P5 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding				Bioorg Med Chem Lett 20: 1485-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.118 BindingDB Entry DOI: 10.7270/Q2WD40QR
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50313496 ((S)-3-amino-5-(4-(heptyloxy)phenyl)-3-methylpentan...) Show SMILES CCCCCCCOc1ccc(CC[C@](C)(N)CC(O)=O)cc1 |r| Show InChI InChI=1S/C19H31NO3/c1-3-4-5-6-7-14-23-17-10-8-16(9-11-17)12-13-19(2,20)15-18(21)22/h8-11H,3-7,12-15,20H2,1-2H3,(H,21,22)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	19	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding				Bioorg Med Chem Lett 20: 1485-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.118 BindingDB Entry DOI: 10.7270/Q2WD40QR
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human))	BDBM50313496 ((S)-3-amino-5-(4-(heptyloxy)phenyl)-3-methylpentan...) Show SMILES CCCCCCCOc1ccc(CC[C@](C)(N)CC(O)=O)cc1 |r| Show InChI InChI=1S/C19H31NO3/c1-3-4-5-6-7-14-23-17-10-8-16(9-11-17)12-13-19(2,20)15-18(21)22/h8-11H,3-7,12-15,20H2,1-2H3,(H,21,22)/t19-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonist activity at human S1P4 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding				Bioorg Med Chem Lett 20: 1485-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.118 BindingDB Entry DOI: 10.7270/Q2WD40QR
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50313496 ((S)-3-amino-5-(4-(heptyloxy)phenyl)-3-methylpentan...) Show SMILES CCCCCCCOc1ccc(CC[C@](C)(N)CC(O)=O)cc1 |r| Show InChI InChI=1S/C19H31NO3/c1-3-4-5-6-7-14-23-17-10-8-16(9-11-17)12-13-19(2,20)15-18(21)22/h8-11H,3-7,12-15,20H2,1-2H3,(H,21,22)/t19-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding				Bioorg Med Chem Lett 20: 1485-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.118 BindingDB Entry DOI: 10.7270/Q2WD40QR
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50313496 ((S)-3-amino-5-(4-(heptyloxy)phenyl)-3-methylpentan...) Show SMILES CCCCCCCOc1ccc(CC[C@](C)(N)CC(O)=O)cc1 |r| Show InChI InChI=1S/C19H31NO3/c1-3-4-5-6-7-14-23-17-10-8-16(9-11-17)12-13-19(2,20)15-18(21)22/h8-11H,3-7,12-15,20H2,1-2H3,(H,21,22)/t19-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonist activity at human S1P2 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding				Bioorg Med Chem Lett 20: 1485-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.118 BindingDB Entry DOI: 10.7270/Q2WD40QR
					More data for this Ligand-Target Pair