null

SMILES: CCCC(=O)Oc1ccc(COCC#CCN2C(=O)N(C(=O)C2(C)C)c2ccc(C#N)c(c2)C(F)(F)F)cc1C(=O)NCN[C@H]1CC(OC2C[C@@](O)(Cc3c(O)c4C(=O)c5cccc(OC)c5C(=O)c4c(O)c23)C(=O)CO)O[C@@H](C)[C@H]1O

InChI Key: InChIKey=WLZCINFVVNITPX-ZJLMMONESA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50155877   

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))	BDBM50155877 (CHEMBL386437 | Doxorubicin-Formaldehyde Conjugate) Show SMILES CCCC(=O)Oc1ccc(COCC#CCN2C(=O)N(C(=O)C2(C)C)c2ccc(C#N)c(c2)C(F)(F)F)cc1C(=O)NCN[C@H]1CC(OC2C[C@@](O)(Cc3c(O)c4C(=O)c5cccc(OC)c5C(=O)c4c(O)c23)C(=O)CO)O[C@@H](C)[C@H]1O Show InChI InChI=1S/C57H56F3N5O17/c1-6-10-41(68)81-37-16-13-29(26-79-18-8-7-17-64-54(76)65(53(75)55(64,3)4)31-15-14-30(24-61)35(20-31)57(58,59)60)19-33(37)52(74)63-27-62-36-21-42(80-28(2)47(36)69)82-39-23-56(77,40(67)25-66)22-34-44(39)51(73)46-45(49(34)71)48(70)32-11-9-12-38(78-5)43(32)50(46)72/h9,11-16,19-20,28,36,39,42,47,62,66,69,71,73,77H,6,10,17-18,21-23,25-27H2,1-5H3,(H,63,74)/t28-,36-,39?,42?,47+,56-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
University of Colorado Curated by ChEMBL					Assay Description Inhibition of [3H]-Mibolerone binding to human Androgen receptor of PC3/AR Cell Lysate				J Med Chem 47: 5690-9 (2004) Article DOI: 10.1021/jm0495226 BindingDB Entry DOI: 10.7270/Q2X066HG
					More data for this Ligand-Target Pair