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Compile Data Set for Download or QSAR

Found 1 hit of kd data for polymerid = 50000596   
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
Prostate-specific antigen


(Homo sapiens (Human))		BDBM50326051
PNG
((2R,5S,8S,11R,14S,17S,20S)-14,17-bis((1H-imidazol-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CS)C(O)=O |r|
Show InChI InChI=1S/C67H94N18O18S4/c1-7-32(4)53(84-63(98)49(27-106)81-58(93)44(18-35-12-14-39(87)15-13-35)76-55(90)33(5)74-64(99)52(31(2)3)83-56(91)41(68)25-104)65(100)75-43(16-17-51(88)89)57(92)78-46(20-37-23-69-29-72-37)59(94)79-47(21-38-24-70-30-73-38)60(95)80-48(26-105)62(97)77-45(19-36-22-71-42-11-9-8-10-40(36)42)61(96)85-54(34(6)86)66(101)82-50(28-107)67(102)103/h8-15,22-24,29-34,41,43-50,52-54,71,86-87,104-107H,7,16-21,25-28,68H2,1-6H3,(H,69,72)(H,70,73)(H,74,99)(H,75,100)(H,76,90)(H,77,97)(H,78,92)(H,79,94)(H,80,95)(H,81,93)(H,82,101)(H,83,91)(H,84,98)(H,85,96)(H,88,89)(H,102,103)/t32-,33-,34+,41-,43-,44-,45-,46-,47-,48-,49-,50-,52-,53-,54-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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KEGG
PC cid
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UniChem

Similars
Article
PubMed
n/an/an/a 2.90E+3n/an/an/an/an/a



Laboratory of Molecular Biology, Medical Research Council

Curated by ChEMBL


Assay Description
Binding affinity to prostrate specific antigen

Nat Chem Biol 5: 502-7 (2009)


Article DOI: 10.1038/nchembio.184
BindingDB Entry DOI: 10.7270/Q2Z60P9P
More data for this
Ligand-Target Pair