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Compile Data Set for Download or QSAR

Found 3 hits of ic50 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))
BDBM50099216
PNG
((2S,3S)-1-[2-(3-Benzyloxycarbonyl-phenyl)-acetyl]-...)
Show SMILES Oc1ccc(C[C@H]2[C@H](N(C(=O)Cc3cccc(c3)C(=O)OCc3ccccc3)C2=O)C(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C34H29NO7/c36-28-16-14-23(15-17-28)19-29-31(34(40)42-22-25-10-5-2-6-11-25)35(32(29)38)30(37)20-26-12-7-13-27(18-26)33(39)41-21-24-8-3-1-4-9-24/h1-18,29,31,36H,19-22H2/t29-,31-/m0/s1
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PC cid
PC sid
UniChem
Article
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n/an/a 226n/an/an/an/an/an/a



The Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of PSA (unknown origin)


J Med Chem 56: 4224-35 (2013)

More data for this
Ligand-Target Pair
Prostate specific antigen


(Homo sapiens (Human))
BDBM50379839
PNG
(CHEMBL2011751)
Show SMILES Oc1ccc(C[C@H]2[C@H](N(C(=O)Oc3cccc(c3)C(=O)OCc3ccccc3)C2=O)C(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C33H27NO8/c35-26-16-14-22(15-17-26)18-28-29(32(38)41-21-24-10-5-2-6-11-24)34(30(28)36)33(39)42-27-13-7-12-25(19-27)31(37)40-20-23-8-3-1-4-9-23/h1-17,19,28-29,35H,18,20-21H2/t28-,29-/m0/s1
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n/an/a 226n/an/an/an/an/an/a



Sanofi Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein 3


Bioorg Med Chem Lett 22: 2450-5 (2012)

More data for this
Ligand-Target Pair
Prostate specific antigen


(Homo sapiens (Human))
BDBM50292533
PNG
(CHEMBL446790 | Fukugetin)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2cc(O)cc(O)c2C(=O)[C@H]1c1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)c(O)c1
Show InChI InChI=1S/C30H22O11/c31-14-4-1-12(2-5-14)29-27(28(39)25-18(35)8-15(32)9-23(25)41-29)26-20(37)10-19(36)24-21(38)11-22(40-30(24)26)13-3-6-16(33)17(34)7-13/h1-10,22,27,29,31-37H,11H2/t22?,27-,29+/m1/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Campus Inc

Curated by ChEMBL


Assay Description
Inhibition of human tissue kallikrein-3 expressed in baculovirus infected insect cells using Abz-KLYSSQ-EDDnp as substrate preincubated for 10 mins f...


Citation and Details
More data for this
Ligand-Target Pair