null

SMILES: CC(C)c1cc(ONC(=O)Nc2cc(Cl)nc(Cl)c2)nc2n(CC=C)nc(C)c12

InChI Key: InChIKey=GSDSPSURUKLGBL-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 329373   

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))	BDBM329373 (US9663511, Compound 6.) Show SMILES CC(C)c1cc(ONC(=O)Nc2cc(Cl)nc(Cl)c2)nc2n(CC=C)nc(C)c12 Show InChI InChI=1S/C19H20Cl2N6O2/c1-5-6-27-18-17(11(4)25-27)13(10(2)3)9-16(24-18)29-26-19(28)22-12-7-14(20)23-15(21)8-12/h5,7-10H,1,6H2,2-4H3,(H2,22,23,26,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Arroyo BioSciences, LLC US Patent					Assay Description I. Master Stock SolutionUnless specified otherwise, the sample compounds were diluted in 100% anhydrous DMSO including all dilutions. The compounds w...				US Patent US9663511 (2017) BindingDB Entry DOI: 10.7270/Q2930W97
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM329373 (US9663511, Compound 6.) Show SMILES CC(C)c1cc(ONC(=O)Nc2cc(Cl)nc(Cl)c2)nc2n(CC=C)nc(C)c12 Show InChI InChI=1S/C19H20Cl2N6O2/c1-5-6-27-18-17(11(4)25-27)13(10(2)3)9-16(24-18)29-26-19(28)22-12-7-14(20)23-15(21)8-12/h5,7-10H,1,6H2,2-4H3,(H2,22,23,26,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Arroyo BioSciences, LLC US Patent					Assay Description I. Master Stock SolutionUnless specified otherwise, the sample compounds were diluted in 100% anhydrous DMSO including all dilutions. The compounds w...				US Patent US9663511 (2017) BindingDB Entry DOI: 10.7270/Q2930W97
					More data for this Ligand-Target Pair