BDBM50311673 (8R,9S,13S,14S,16S)-2-chloro-16-fluoro-3-hydroxy-13-methyl-7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthren-17(14H)-one::CHEMBL1081722

SMILES: C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(Cl)cc34)[C@@H]1C[C@H](F)C2=O

InChI Key: InChIKey=UICGOBIWWMUJBX-ATIKCXIFSA-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 = 50311673   

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
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1) (Homo sapiens (Human))	BDBM50311673 ((8R,9S,13S,14S,16S)-2-chloro-16-fluoro-3-hydroxy-1...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(Cl)cc34)[C@@H]1C[C@H](F)C2=O |r| Show InChI InChI=1S/C18H20ClFO2/c1-18-5-4-10-11(13(18)8-15(20)17(18)22)3-2-9-6-16(21)14(19)7-12(9)10/h6-7,10-11,13,15,21H,2-5,8H2,1H3/t10-,11+,13-,15-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Experimental Genetics Curated by ChEMBL					Assay Description Inhibition of His-tagged human 17beta-HSD1 expressed in Escherichia coli by scintillation counting				Bioorg Med Chem Lett 19: 6740-4 (2009) Article DOI: 10.1016/j.bmcl.2009.09.113 BindingDB Entry DOI: 10.7270/Q20K29HP
					More data for this Ligand-Target Pair