Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 2' and Ligand = 'BDBM50576246'   

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 2 (Homo sapiens (Human))	BDBM50576246 (CHEMBL4847056) Show SMILES Cc1nn(C)cc1-c1cnc(CNC(=O)Nc2cc(Cl)nc(Cl)c2)cc1C Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.770	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in pr...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00138 BindingDB Entry DOI: 10.7270/Q2V41021
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50576246 (CHEMBL4847056) Show SMILES Cc1nn(C)cc1-c1cnc(CNC(=O)Nc2cc(Cl)nc(Cl)c2)cc1C Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.770	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hr...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00138 BindingDB Entry DOI: 10.7270/Q2V41021
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50576246 (CHEMBL4847056) Show SMILES Cc1nn(C)cc1-c1cnc(CNC(=O)Nc2cc(Cl)nc(Cl)c2)cc1C Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00138 BindingDB Entry DOI: 10.7270/Q2V41021
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50576246 (CHEMBL4847056) Show SMILES Cc1nn(C)cc1-c1cnc(CNC(=O)Nc2cc(Cl)nc(Cl)c2)cc1C Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00138 BindingDB Entry DOI: 10.7270/Q2V41021
					More data for this Ligand-Target Pair