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SMILES: CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)NCCOCCOCCOCCNC(=O)c1ccc(Cn2c(C)c(C#N)c(c2C)-c2ccc(cc2)C#N)cc1

InChI Key: InChIKey=NHMJRWPSMORJLM-JWZYOJHJSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50459873   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Androgen receptor


(Homo sapiens (Human))		BDBM50459873
PNG
(CHEMBL4225186)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)NCCOCCOCCOCCNC(=O)c1ccc(Cn2c(C)c(C#N)c(c2C)-c2ccc(cc2)C#N)cc1 |r|
Show InChI InChI=1S/C46H57N7O7/c1-31(2)26-41(52-46(57)43(54)40(49)27-34-8-6-5-7-9-34)45(56)51-19-21-59-23-25-60-24-22-58-20-18-50-44(55)38-16-12-36(13-17-38)30-53-32(3)39(29-48)42(33(53)4)37-14-10-35(28-47)11-15-37/h5-17,31,40-41,43,54H,18-27,30,49H2,1-4H3,(H,50,55)(H,51,56)(H,52,57)/t40-,41+,43+/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/an/a 27n/an/an/an/an/an/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