null

SMILES: COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]2C(CN1C(=O)c1ccccc1)=CC(=O)C2=C

InChI Key: InChIKey=OAFVCCUNRXBEEH-XUZZJYLKSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 46781   

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
Ion channel NompC (Danio rerio)	BDBM46781 ((3R,3aR)-2-benzoyl-3-(4-fluorobenzyl)-5-keto-4-met...) Show SMILES COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]2C(CN1C(=O)c1ccccc1)=CC(=O)C2=C |c:27| Show InChI InChI=1S/C24H20FNO4/c1-15-20(27)12-18-14-26(22(28)17-6-4-3-5-7-17)24(21(15)18,23(29)30-2)13-16-8-10-19(25)11-9-16/h3-12,21H,1,13-14H2,2H3/t21-,24+/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.11E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q28S4NBW
					More data for this Ligand-Target Pair
Mucolipin-3 (Homo sapiens (Human))	BDBM46781 ((3R,3aR)-2-benzoyl-3-(4-fluorobenzyl)-5-keto-4-met...) Show SMILES COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]2C(CN1C(=O)c1ccccc1)=CC(=O)C2=C |c:27| Show InChI InChI=1S/C24H20FNO4/c1-15-20(27)12-18-14-26(22(28)17-6-4-3-5-7-17)24(21(15)18,23(29)30-2)13-16-8-10-19(25)11-9-16/h3-12,21H,1,13-14H2,2H3/t21-,24+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.12E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q22Z13Z2
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM46781 ((3R,3aR)-2-benzoyl-3-(4-fluorobenzyl)-5-keto-4-met...) Show SMILES COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]2C(CN1C(=O)c1ccccc1)=CC(=O)C2=C |c:27| Show InChI InChI=1S/C24H20FNO4/c1-15-20(27)12-18-14-26(22(28)17-6-4-3-5-7-17)24(21(15)18,23(29)30-2)13-16-8-10-19(25)11-9-16/h3-12,21H,1,13-14H2,2H3/t21-,24+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q28C9TQN
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM46781 ((3R,3aR)-2-benzoyl-3-(4-fluorobenzyl)-5-keto-4-met...) Show SMILES COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]2C(CN1C(=O)c1ccccc1)=CC(=O)C2=C |c:27| Show InChI InChI=1S/C24H20FNO4/c1-15-20(27)12-18-14-26(22(28)17-6-4-3-5-7-17)24(21(15)18,23(29)30-2)13-16-8-10-19(25)11-9-16/h3-12,21H,1,13-14H2,2H3/t21-,24+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ
					More data for this Ligand-Target Pair
X-box-binding protein 1 (Homo sapiens (Human))	BDBM46781 ((3R,3aR)-2-benzoyl-3-(4-fluorobenzyl)-5-keto-4-met...) Show SMILES COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]2C(CN1C(=O)c1ccccc1)=CC(=O)C2=C |c:27| Show InChI InChI=1S/C24H20FNO4/c1-15-20(27)12-18-14-26(22(28)17-6-4-3-5-7-17)24(21(15)18,23(29)30-2)13-16-8-10-19(25)11-9-16/h3-12,21H,1,13-14H2,2H3/t21-,24+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2NK3CGB
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human))	BDBM46781 ((3R,3aR)-2-benzoyl-3-(4-fluorobenzyl)-5-keto-4-met...) Show SMILES COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]2C(CN1C(=O)c1ccccc1)=CC(=O)C2=C |c:27| Show InChI InChI=1S/C24H20FNO4/c1-15-20(27)12-18-14-26(22(28)17-6-4-3-5-7-17)24(21(15)18,23(29)30-2)13-16-8-10-19(25)11-9-16/h3-12,21H,1,13-14H2,2H3/t21-,24+/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2319TBQ
					More data for this Ligand-Target Pair