BDBM50077112 CHEMBL27812::Cis-(3aR,11bS)-10-Trifluoromethyl-1,2,3,3a,4,5,7,11b-octahydro-5,7-diaza-cyclopenta[a]anthracen-8-one

SMILES: FC(F)(F)c1cc(=O)[nH]c2cc3NC[C@@H]4CCC[C@@H]4c3cc12

InChI Key: InChIKey=FDZWPAWLXGOXJZ-IUCAKERBSA-N

Data: 1 KI  1 IC50  1 EC50

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 3 hits for monomerid = 50077112   

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
Androgen Receptor (Homo sapiens (Human))	BDBM50077112 (CHEMBL27812 | Cis-(3aR,11bS)-10-Trifluoromethyl-1,...) Show SMILES FC(F)(F)c1cc(=O)[nH]c2cc3NC[C@@H]4CCC[C@@H]4c3cc12 Show InChI InChI=1S/C16H15F3N2O/c17-16(18,19)12-5-15(22)21-14-6-13-10(4-11(12)14)9-3-1-2-8(9)7-20-13/h4-6,8-9,20H,1-3,7H2,(H,21,22)/t8-,9-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity to the human androgen receptor (hAR) in CV-1 cells				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM50077112 (CHEMBL27812 | Cis-(3aR,11bS)-10-Trifluoromethyl-1,...) Show SMILES FC(F)(F)c1cc(=O)[nH]c2cc3NC[C@@H]4CCC[C@@H]4c3cc12 Show InChI InChI=1S/C16H15F3N2O/c17-16(18,19)12-5-15(22)21-14-6-13-10(4-11(12)14)9-3-1-2-8(9)7-20-13/h4-6,8-9,20H,1-3,7H2,(H,21,22)/t8-,9-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM50077112 (CHEMBL27812 | Cis-(3aR,11bS)-10-Trifluoromethyl-1,...) Show SMILES FC(F)(F)c1cc(=O)[nH]c2cc3NC[C@@H]4CCC[C@@H]4c3cc12 Show InChI InChI=1S/C16H15F3N2O/c17-16(18,19)12-5-15(22)21-14-6-13-10(4-11(12)14)9-3-1-2-8(9)7-20-13/h4-6,8-9,20H,1-3,7H2,(H,21,22)/t8-,9-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonistic activity against human androgen receptor (hAR) in CV-1 cells using cotransfection assay				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair