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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50298757   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Prostate-specific antigen


(Homo sapiens (Human))		BDBM50298757
PNG
((5S,8S,11S,14S,17R)-11-(4-aminobutyl)-5,8-bis(hydr...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)N(C)C(=O)[C@H](CO)NC(=O)[C@H](CO)N(C)C(=O)OCc1ccccc1)B(O)O |r|
Show InChI InChI=1S/C33H57BN6O10/c1-21(2)16-24(29(43)38-28(34(48)49)17-22(3)4)36-30(44)26(14-10-11-15-35)39(5)32(46)25(18-41)37-31(45)27(19-42)40(6)33(47)50-20-23-12-8-7-9-13-23/h7-9,12-13,21-22,24-28,41-42,48-49H,10-11,14-20,35H2,1-6H3,(H,36,44)(H,37,45)(H,38,43)/t24-,25-,26-,27-,28-/m0/s1
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Similars
Article
PubMed
 5.60n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay

Bioorg Med Chem 17: 4888-93 (2009)


Article DOI: 10.1016/j.bmc.2009.06.012
BindingDB Entry DOI: 10.7270/Q2T43T49
More data for this
Ligand-Target Pair