null

SMILES: COc1cc2CCN3C(CCC(C#N)=C3c2cc1OC)=NC(=O)c1ccc(Cl)cc1

InChI Key: InChIKey=FJNIDXRQNOEFNU-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 41687   

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 2 (Homo sapiens (Human))	BDBM41687 (4-chloranyl-N-(1-cyano-9,10-dimethoxy-2,3,6,7-tetr...) Show SMILES COc1cc2CCN3C(CCC(C#N)=C3c2cc1OC)=NC(=O)c1ccc(Cl)cc1 |w:20.23,c:13| Show InChI InChI=1S/C23H20ClN3O3/c1-29-19-11-15-9-10-27-21(26-23(28)14-3-6-17(24)7-4-14)8-5-16(13-25)22(27)18(15)12-20(19)30-2/h3-4,6-7,11-12H,5,8-10H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	1.64E+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/Q2902257
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM41687 (4-chloranyl-N-(1-cyano-9,10-dimethoxy-2,3,6,7-tetr...) Show SMILES COc1cc2CCN3C(CCC(C#N)=C3c2cc1OC)=NC(=O)c1ccc(Cl)cc1 |w:20.23,c:13| Show InChI InChI=1S/C23H20ClN3O3/c1-29-19-11-15-9-10-27-21(26-23(28)14-3-6-17(24)7-4-14)8-5-16(13-25)22(27)18(15)12-20(19)30-2/h3-4,6-7,11-12H,5,8-10H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	1.61E+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/Q26D5RD0
					More data for this Ligand-Target Pair