BDBM113989 2-[(2R,4aS,12aS)-8-[(4-fluorophenyl)sulfonylamino]-5-methyl-6-oxidanylidene-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[2,2,2-tris(fluoranyl)ethyl]ethanamide::2-[(2R,4aS,12aS)-8-[(4-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2,2,2-trifluoroethyl)acetamide::2-[(2R,4aS,12aS)-8-[(4-fluorophenyl)sulfonylamino]-6-keto-5-methyl-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2,2,2-trifluoroethyl)acetamide::MLS004342426::SMR003100801::cid_60159039

SMILES: CN1[C@H]2CC[C@H](CC(=O)NCC(F)(F)F)O[C@@H]2COc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O

InChI Key: InChIKey=FVXBGMBMLZPPSG-LKUPVBHCSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 113989   

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
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM113989 (2-[(2R,4aS,12aS)-8-[(4-fluorophenyl)sulfonylamino]...) Show SMILES CN1[C@H]2CC[C@H](CC(=O)NCC(F)(F)F)O[C@@H]2COc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O Show InChI InChI=1S/C24H25F4N3O6S/c1-31-19-8-5-16(11-22(32)29-13-24(26,27)28)37-21(19)12-36-20-9-4-15(10-18(20)23(31)33)30-38(34,35)17-6-2-14(25)3-7-17/h2-4,6-7,9-10,16,19,21,30H,5,8,11-13H2,1H3,(H,29,32)/t16-,19+,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	6.96E+4	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 (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...				PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2DV1HJQ
					More data for this Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T] (Homo sapiens (Human))	BDBM113989 (2-[(2R,4aS,12aS)-8-[(4-fluorophenyl)sulfonylamino]...) Show SMILES CN1[C@H]2CC[C@H](CC(=O)NCC(F)(F)F)O[C@@H]2COc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O Show InChI InChI=1S/C24H25F4N3O6S/c1-31-19-8-5-16(11-22(32)29-13-24(26,27)28)37-21(19)12-36-20-9-4-15(10-18(20)23(31)33)30-38(34,35)17-6-2-14(25)3-7-17/h2-4,6-7,9-10,16,19,21,30H,5,8,11-13H2,1H3,(H,29,32)/t16-,19+,21-/m1/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	4.51E+4	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 (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...				PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2NC5ZV0
					More data for this Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3 (Homo sapiens (Human))	BDBM113989 (2-[(2R,4aS,12aS)-8-[(4-fluorophenyl)sulfonylamino]...) Show SMILES CN1[C@H]2CC[C@H](CC(=O)NCC(F)(F)F)O[C@@H]2COc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O Show InChI InChI=1S/C24H25F4N3O6S/c1-31-19-8-5-16(11-22(32)29-13-24(26,27)28)37-21(19)12-36-20-9-4-15(10-18(20)23(31)33)30-38(34,35)17-6-2-14(25)3-7-17/h2-4,6-7,9-10,16,19,21,30H,5,8,11-13H2,1H3,(H,29,32)/t16-,19+,21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	4.72E+4	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 (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...				PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2S46QKQ
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (Homo sapiens (Human))	BDBM113989 (2-[(2R,4aS,12aS)-8-[(4-fluorophenyl)sulfonylamino]...) Show SMILES CN1[C@H]2CC[C@H](CC(=O)NCC(F)(F)F)O[C@@H]2COc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O Show InChI InChI=1S/C24H25F4N3O6S/c1-31-19-8-5-16(11-22(32)29-13-24(26,27)28)37-21(19)12-36-20-9-4-15(10-18(20)23(31)33)30-38(34,35)17-6-2-14(25)3-7-17/h2-4,6-7,9-10,16,19,21,30H,5,8,11-13H2,1H3,(H,29,32)/t16-,19+,21-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	6.96E+4	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 (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...				PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2930RT9
					More data for this Ligand-Target Pair