BDBM50195144 (8S,11S,13S,14S,17S)-11-(2,5-difluoro-4-methoxy-phenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-cyclopenta[a]phenanthren-3-one::CHEMBL222127

SMILES: COc1cc(F)c(cc1F)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12

InChI Key: InChIKey=JKAJJIWLUYWOGD-JJISONHXSA-N

Data: 2 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 2 hits for monomerid = 50195144   

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
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50195144 ((8S,11S,13S,14S,17S)-11-(2,5-difluoro-4-methoxy-ph...) Show SMILES COc1cc(F)c(cc1F)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:27,34| Show InChI InChI=1S/C28H30F2O3/c1-4-10-28(32)11-9-22-19-7-5-16-12-17(31)6-8-18(16)26(19)21(15-27(22,28)2)20-13-24(30)25(33-3)14-23(20)29/h12-14,19,21-22,32H,5-9,11,15H2,1-3H3/t19-,21+,22-,27-,28-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity to human GR				Bioorg Med Chem Lett 16: 6086-90 (2006) Article DOI: 10.1016/j.bmcl.2006.08.133 BindingDB Entry DOI: 10.7270/Q2H132TB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50195144 ((8S,11S,13S,14S,17S)-11-(2,5-difluoro-4-methoxy-ph...) Show SMILES COc1cc(F)c(cc1F)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:27,34| Show InChI InChI=1S/C28H30F2O3/c1-4-10-28(32)11-9-22-19-7-5-16-12-17(31)6-8-18(16)26(19)21(15-27(22,28)2)20-13-24(30)25(33-3)14-23(20)29/h12-14,19,21-22,32H,5-9,11,15H2,1-3H3/t19-,21+,22-,27-,28-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Activity at GR expressed in CHO cells assessed as decrease in dexamethasone-stimulated alkaline phosphatase production by GRAF assay				Bioorg Med Chem Lett 16: 6086-90 (2006) Article DOI: 10.1016/j.bmcl.2006.08.133 BindingDB Entry DOI: 10.7270/Q2H132TB
					More data for this Ligand-Target Pair