BDBM50459870 CHEMBL4227287

SMILES: CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)NCCOCCOCCOCCNC(=O)c1ccc(cc1)S(=O)(=O)CC(C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F

InChI Key: InChIKey=PIRRWGXSGGCAEW-OGBWKRBHSA-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 = 50459870   

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))	BDBM50459870 (CHEMBL4227287) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)NCCOCCOCCOCCNC(=O)c1ccc(cc1)S(=O)(=O)CC(C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C43H55F3N6O11S/c1-28(2)23-36(52-40(56)37(53)35(48)24-29-7-5-4-6-8-29)39(55)50-16-18-62-20-22-63-21-19-61-17-15-49-38(54)30-10-13-33(14-11-30)64(59,60)27-42(3,58)41(57)51-32-12-9-31(26-47)34(25-32)43(44,45)46/h4-14,25,28,35-37,53,58H,15-24,27,48H2,1-3H3,(H,49,54)(H,50,55)(H,51,57)(H,52,56)/t35-,36+,37+,42?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Health Sciences Curated by ChEMBL					Assay Description Displacement of [17-alpha-methyl-H-3] mibolerone from wild-type androgen receptor (unknown origin) expressed in human Freestyle293F cells measured af...				J Med Chem 61: 543-575 (2018) Article DOI: 10.1021/acs.jmedchem.7b00168 BindingDB Entry DOI: 10.7270/Q2VT1VR7
					More data for this Ligand-Target Pair