Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM31083'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM31083 (MLS000107813 | SMR000103777 | [4-(4,7-dimethyl-1,3...) Show SMILES CC(=O)Oc1ccc(cc1)-n1c(O)c2c(c1O)C1(C)OC2(C)C=C1 |c:25,TLB:15:14:19:22.23,THB:11:13:19:22.23| Show InChI InChI=1S/C18H17NO5/c1-10(20)23-12-6-4-11(5-7-12)19-15(21)13-14(16(19)22)18(3)9-8-17(13,2)24-18/h4-9,21-22H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.34E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM31083 (MLS000107813 | SMR000103777 | [4-(4,7-dimethyl-1,3...) Show SMILES CC(=O)Oc1ccc(cc1)-n1c(O)c2c(c1O)C1(C)OC2(C)C=C1 |c:25,TLB:15:14:19:22.23,THB:11:13:19:22.23| Show InChI InChI=1S/C18H17NO5/c1-10(20)23-12-6-4-11(5-7-12)19-15(21)13-14(16(19)22)18(3)9-8-17(13,2)24-18/h4-9,21-22H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.18E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM31083 (MLS000107813 | SMR000103777 | [4-(4,7-dimethyl-1,3...) Show SMILES CC(=O)Oc1ccc(cc1)-n1c(O)c2c(c1O)C1(C)OC2(C)C=C1 |c:25,TLB:15:14:19:22.23,THB:11:13:19:22.23| Show InChI InChI=1S/C18H17NO5/c1-10(20)23-12-6-4-11(5-7-12)19-15(21)13-14(16(19)22)18(3)9-8-17(13,2)24-18/h4-9,21-22H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.23E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25X2795
					More data for this Ligand-Target Pair