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3 similar compounds to monomer 92912

Wt: 363.3
BDBM92913
Wt: 377.4
BDBM92914
Wt: 438.3
BDBM50381013

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 92913,92914,50381013   
Target
(Institution)
LigandTarget
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
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens)
BDBM50381013
PNG
(CHEMBL2017129)
Show SMILES Oc1c(cc(cc1[N+]([O-])=O)-c1cc(F)cc(c1O)[N+]([O-])=O)C(=O)C1CCc2ccccc12
Show InChI InChI=1S/C22H15FN2O7/c23-13-9-16(21(27)19(10-13)25(31)32)12-7-17(22(28)18(8-12)24(29)30)20(26)15-6-5-11-3-1-2-4-14(11)15/h1-4,7-10,15,27-28H,5-6H2
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PubMed
200n/an/an/an/an/an/an/an/a



Chinese Academy of Medical Sciences& Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human Pin1


Bioorg Med Chem 20: 2992-9 (2012)

More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM92913
PNG
(Aryl 1-indanylketone, 2)
Show SMILES Nc1cc(F)cc(-c2ccc(O)c(c2)C(=O)C2CCc3ccccc23)c1O
Show InChI InChI=1S/C22H18FNO3/c23-14-10-17(22(27)19(24)11-14)13-6-8-20(25)18(9-13)21(26)16-7-5-12-3-1-2-4-15(12)16/h1-4,6,8-11,16,25,27H,5,7,24H2
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300n/an/an/an/an/an/an/an/a



Max Planck Research



Assay Description
PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...


Biochemistry 48: 6268-77 (2009)

More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM92914
PNG
(Aryl 1-indanylketone, 3)
Show SMILES COc1ccc(F)cc1-c1cc(N)c(O)c(c1)C(=O)C1CCc2ccccc12
Show InChI InChI=1S/C23H20FNO3/c1-28-21-9-7-15(24)12-18(21)14-10-19(23(27)20(25)11-14)22(26)17-8-6-13-4-2-3-5-16(13)17/h2-5,7,9-12,17,27H,6,8,25H2,1H3
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PubMed
1.70E+3n/an/an/an/an/an/an/an/a



Max Planck Research



Assay Description
PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...


Biochemistry 48: 6268-77 (2009)

More data for this
Ligand-Target Pair
Cyclophilin D (CypD)


(Homo sapiens (Human))
BDBM92913
PNG
(Aryl 1-indanylketone, 2)
Show SMILES Nc1cc(F)cc(-c2ccc(O)c(c2)C(=O)C2CCc3ccccc23)c1O
Show InChI InChI=1S/C22H18FNO3/c23-14-10-17(22(27)19(24)11-14)13-6-8-20(25)18(9-13)21(26)16-7-5-12-3-1-2-4-15(12)16/h1-4,6,8-11,16,25,27H,5,7,24H2
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6.28E+3n/an/an/an/an/an/an/an/a



Max Planck Research



Assay Description
PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...


Biochemistry 48: 6268-77 (2009)

More data for this
Ligand-Target Pair
Cyclophilin B (CypB)


(Homo sapiens (Human))
BDBM92914
PNG
(Aryl 1-indanylketone, 3)
Show SMILES COc1ccc(F)cc1-c1cc(N)c(O)c(c1)C(=O)C1CCc2ccccc12
Show InChI InChI=1S/C23H20FNO3/c1-28-21-9-7-15(24)12-18(21)14-10-19(23(27)20(25)11-14)22(26)17-8-6-13-4-2-3-5-16(13)17/h2-5,7,9-12,17,27H,6,8,25H2,1H3
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PubMed
8.60E+3n/an/an/an/an/an/an/an/a



Max Planck Research



Assay Description
PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...


Biochemistry 48: 6268-77 (2009)

More data for this
Ligand-Target Pair
Cyclophilin B (CypB)


(Homo sapiens (Human))
BDBM92913
PNG
(Aryl 1-indanylketone, 2)
Show SMILES Nc1cc(F)cc(-c2ccc(O)c(c2)C(=O)C2CCc3ccccc23)c1O
Show InChI InChI=1S/C22H18FNO3/c23-14-10-17(22(27)19(24)11-14)13-6-8-20(25)18(9-13)21(26)16-7-5-12-3-1-2-4-15(12)16/h1-4,6,8-11,16,25,27H,5,7,24H2
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1.20E+4n/an/an/an/an/an/an/an/a



Max Planck Research



Assay Description
PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...


Biochemistry 48: 6268-77 (2009)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase H (USA-Cyp)


(Homo sapiens (Human))
BDBM92913
PNG
(Aryl 1-indanylketone, 2)
Show SMILES Nc1cc(F)cc(-c2ccc(O)c(c2)C(=O)C2CCc3ccccc23)c1O
Show InChI InChI=1S/C22H18FNO3/c23-14-10-17(22(27)19(24)11-14)13-6-8-20(25)18(9-13)21(26)16-7-5-12-3-1-2-4-15(12)16/h1-4,6,8-11,16,25,27H,5,7,24H2
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>1.00E+5n/an/an/an/an/an/an/an/a



Max Planck Research



Assay Description
PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...


Biochemistry 48: 6268-77 (2009)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase-like 1 (PPIL1)


(Homo sapiens (Human))
BDBM92913
PNG
(Aryl 1-indanylketone, 2)
Show SMILES Nc1cc(F)cc(-c2ccc(O)c(c2)C(=O)C2CCc3ccccc23)c1O
Show InChI InChI=1S/C22H18FNO3/c23-14-10-17(22(27)19(24)11-14)13-6-8-20(25)18(9-13)21(26)16-7-5-12-3-1-2-4-15(12)16/h1-4,6,8-11,16,25,27H,5,7,24H2
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>1.00E+5n/an/an/an/an/an/an/an/a



Max Planck Research



Assay Description
PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...


Biochemistry 48: 6268-77 (2009)

More data for this
Ligand-Target Pair
Cyclophilin C (CypC)


(Homo sapiens (Human))
BDBM92913
PNG
(Aryl 1-indanylketone, 2)
Show SMILES Nc1cc(F)cc(-c2ccc(O)c(c2)C(=O)C2CCc3ccccc23)c1O
Show InChI InChI=1S/C22H18FNO3/c23-14-10-17(22(27)19(24)11-14)13-6-8-20(25)18(9-13)21(26)16-7-5-12-3-1-2-4-15(12)16/h1-4,6,8-11,16,25,27H,5,7,24H2
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PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Max Planck Research



Assay Description
PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...


Biochemistry 48: 6268-77 (2009)

More data for this
Ligand-Target Pair