BDBM264506 N?[(RS)-2,3-dihydroxypropyl]-17-(5-fluoropyridin-3-yl)-N-methyloestra-1,3,5(10),16-tetraene-3-carboxamide::US9714266, 35

SMILES: [H][C@@]12CC=C(c3cncc(F)c3)[C@@]1(C)CC[C@]1([H])c3ccc(cc3CC[C@@]21[H])C(=O)N(C)CC(O)CO

InChI Key: InChIKey=NLQBQTWHUPDILY-SKPLVTKSSA-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 = 264506   

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
Aldo-keto-reductase family 1 member C3 (Homo sapiens (Human))	BDBM264506 (N?[(RS)-2,3-dihydroxypropyl]-17-(5-fluoropyridin-3...) Show SMILES [H][C@@]12CC=C(c3cncc(F)c3)[C@@]1(C)CC[C@]1([H])c3ccc(cc3CC[C@@]21[H])C(=O)N(C)CC(O)CO |r,t:3| Show InChI InChI=1S/C28H33FN2O3/c1-28-10-9-23-22-5-4-18(27(34)31(2)15-21(33)16-32)11-17(22)3-6-24(23)26(28)8-7-25(28)19-12-20(29)14-30-13-19/h4-5,7,11-14,21,23-24,26,32-33H,3,6,8-10,15-16H2,1-2H3/t21?,23-,24-,26+,28-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	7.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description For the assay, 50 nl of a 100-fold concentrated solution of the test substance in DMSO were pipetted into a black low-volume 384-well microtitre plat...				US Patent US9714266 (2017) BindingDB Entry DOI: 10.7270/Q2ZG6V7W
					More data for this Ligand-Target Pair