BDBM50226048 CHEMBL3349088

SMILES: [H][C@@]12CC[C@H](C(=O)NCCCCCCCCCCCCCCCCCC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C

InChI Key: InChIKey=KDFOCIXQPMIRKO-RDUCAMADSA-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 = 50226048   

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 (Rattus norvegicus (Rat))	BDBM50226048 (CHEMBL3349088) Show SMILES [H][C@@]12CC[C@H](C(=O)NCCCCCCCCCCCCCCCCCC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C |r| Show InChI InChI=1S/C38H68N2O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29-39-36(42)33-23-22-31-30-21-24-34-38(3,28-26-35(41)40(34)4)32(30)25-27-37(31,33)2/h30-34H,5-29H2,1-4H3,(H,39,42)/t30-,31-,32-,33+,34?,37-,38+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro antagonist activity against rat prostatic androgen receptor (AR)				J Med Chem 29: 2298-315 (1986) BindingDB Entry DOI: 10.7270/Q2XG9RQR
					More data for this Ligand-Target Pair
Steroid 5-alpha-reductase (Rattus norvegicus)	BDBM50226048 (CHEMBL3349088) Show SMILES [H][C@@]12CC[C@H](C(=O)NCCCCCCCCCCCCCCCCCC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C |r| Show InChI InChI=1S/C38H68N2O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29-39-36(42)33-23-22-31-30-21-24-34-38(3,28-26-35(41)40(34)4)32(30)25-27-37(31,33)2/h30-34H,5-29H2,1-4H3,(H,39,42)/t30-,31-,32-,33+,34?,37-,38+/m0/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against rat prostatic steroid 5-alpha-reductase				J Med Chem 29: 2298-315 (1986) BindingDB Entry DOI: 10.7270/Q2XG9RQR
					More data for this Ligand-Target Pair