BDBM95664 (2R)-2-[(4S,5R)-8-(2-fluorophenyl)-1,1-diketo-4-methyl-5-[[methyl(4-pyridylmethyl)amino]methyl]-4,5-dihydro-3H-6,,2-benzoxathiazocin-2-yl]propan-1-ol::(2R)-2-[(4S,5R)-8-(2-fluorophenyl)-4-methyl-5-[[methyl(pyridin-4-ylmethyl)amino]methyl]-1,1-bis(oxidanylidene)-4,5-dihydro-3H-6,,2-benzoxathiazocin-2-yl]propan-1-ol::(2R)-2-[(4S,5R)-8-(2-fluorophenyl)-4-methyl-5-[[methyl(pyridin-4-ylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,,2-benzoxathiazocin-2-yl]-1-propanol::(2R)-2-[(4S,5R)-8-(2-fluorophenyl)-4-methyl-5-[[methyl(pyridin-4-ylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,,2-benzoxathiazocin-2-yl]propan-1-ol::MLS003130145::SMR001834591::cid_46903543

SMILES: C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccncc2)Oc2cc(ccc2S1(=O)=O)-c1ccccc1F

InChI Key: InChIKey=BDZXWMZQBJFLSO-UNVFRBQDSA-N

Data: 1 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 1 hit for monomerid = 95664   

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
nuclear receptor subfamily 5 group A member 2 isoform 2 (Homo sapiens (Human))	BDBM95664 ((2R)-2-[(4S,5R)-8-(2-fluorophenyl)-1,1-diketo-4-me...) Show SMILES C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccncc2)Oc2cc(ccc2S1(=O)=O)-c1ccccc1F Show InChI InChI=1S/C27H32FN3O4S/c1-19-15-31(20(2)18-32)36(33,34)27-9-8-22(23-6-4-5-7-24(23)28)14-25(27)35-26(19)17-30(3)16-21-10-12-29-13-11-21/h4-14,19-20,26,32H,15-18H2,1-3H3/t19-,20+,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q22F7M18
					More data for this Ligand-Target Pair