Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM317453'   

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))	BDBM317453 (BDBM50165434 | US9617250, Example 1 Example 204 of...) Show SMILES CCC(CC)c1cc(cc(C)n1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r| Show InChI InChI=1S/C27H36N4O5/c1-6-18(7-2)23-12-21(10-17(5)29-23)27-30-26(31-36-27)20-9-16(4)25(19(8-3)11-20)35-15-22(33)13-28-24(34)14-32/h9-12,18,22,32-33H,6-8,13-15H2,1-5H3,(H,28,34)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.200	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...				Eur J Med Chem 116: 222-238 (2016) Article DOI: 10.1016/j.ejmech.2016.03.048 BindingDB Entry DOI: 10.7270/Q2ST7RRN
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM317453 (BDBM50165434 | US9617250, Example 1 Example 204 of...) Show SMILES CCC(CC)c1cc(cc(C)n1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r| Show InChI InChI=1S/C27H36N4O5/c1-6-18(7-2)23-12-21(10-17(5)29-23)27-30-26(31-36-27)20-9-16(4)25(19(8-3)11-20)35-15-22(33)13-28-24(34)14-32/h9-12,18,22,32-33H,6-8,13-15H2,1-5H3,(H,28,34)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.200	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 h...				J Med Chem 57: 110-30 (2014) Article DOI: 10.1021/jm4014696 BindingDB Entry DOI: 10.7270/Q2KK9FSV
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM317453 (BDBM50165434 | US9617250, Example 1 Example 204 of...) Show SMILES CCC(CC)c1cc(cc(C)n1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r| Show InChI InChI=1S/C27H36N4O5/c1-6-18(7-2)23-12-21(10-17(5)29-23)27-30-26(31-36-27)20-9-16(4)25(19(8-3)11-20)35-15-22(33)13-28-24(34)14-32/h9-12,18,22,32-33H,6-8,13-15H2,1-5H3,(H,28,34)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.200	n/a	n/a	n/a	n/a
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description GTPγS binding assays are performed in 96 well microtiter plates (Nunc, 442587) in a final volume of 200 μl, using membrane preparations of ...				US Patent US9617250 (2017) BindingDB Entry DOI: 10.7270/Q2P55QKR
					More data for this Ligand-Target Pair