BindingDB logo
myBDB logout

Patent code US9975902

Compile Data Set for Download or QSAR
Found 13 hits of Enzyme Inhibition Constant Data   
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
Peptidyl-prolyl cis-trans isomerase D


(Homo sapiens (Human))
BDBM394272
PNG
(US9975902, Example 2)
Show SMILES O=C(CN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)NCc1ccc2NCCCc2c1
Show InChI InChI=1S/C21H25N3O3/c25-17(23-10-12-3-6-16-13(8-12)2-1-7-22-16)11-24-20(26)18-14-4-5-15(9-14)19(18)21(24)27/h3,6,8,14-15,18-19,22H,1-2,4-5,7,9-11H2,(H,23,25)/t14-,15+,18-,19+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+4n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The peptidyl-proline isomerase activity (PPase) was determined by using a PPase-chymotrypsin coupled assay with suc-AAPF-p-NA as substrated and color...


US Patent US9975902 (2018)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D


(Homo sapiens (Human))
BDBM394274
PNG
(US9975902, Example 4)
Show SMILES [O-][N+](=O)c1ccc(CNC(=O)CN2C(=O)C3[C@@H]4CCC(C4)[C@@H]3C2=O)cc1
Show InChI InChI=1S/C18H19N3O5/c22-14(19-8-10-1-5-13(6-2-10)21(25)26)9-20-17(23)15-11-3-4-12(7-11)16(15)18(20)24/h1-2,5-6,11-12,15-16H,3-4,7-9H2,(H,19,22)/t11-,12?,15?,16+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+4n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The binding capacity of the compounds was measured using a competition Fluorescence-Polarisation based assay with fluorescine labelled cyclosporin.


US Patent US9975902 (2018)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D


(Homo sapiens (Human))
BDBM394272
PNG
(US9975902, Example 2)
Show SMILES O=C(CN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)NCc1ccc2NCCCc2c1
Show InChI InChI=1S/C21H25N3O3/c25-17(23-10-12-3-6-16-13(8-12)2-1-7-22-16)11-24-20(26)18-14-4-5-15(9-14)19(18)21(24)27/h3,6,8,14-15,18-19,22H,1-2,4-5,7,9-11H2,(H,23,25)/t14-,15+,18-,19+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+4n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The binding capacity of the compounds was measured using a competition Fluorescence-Polarisation based assay with fluorescine labelled cyclosporin.


US Patent US9975902 (2018)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D


(Homo sapiens (Human))
BDBM394270
PNG
(US9975902, Example 1)
Show SMILES O[C@@H]1COC2C[C@H]1Nc1ccc(CNC(=O)CN3C(=O)C4[C@@H]5CCC(C5)[C@H]4C3=O)cc21
Show InChI InChI=1S/C23H27N3O5/c27-17-10-31-18-7-16(17)25-15-4-1-11(5-14(15)18)8-24-19(28)9-26-22(29)20-12-2-3-13(6-12)21(20)23(26)30/h1,4-5,12-13,16-18,20-21,25,27H,2-3,6-10H2,(H,24,28)/t12-,13?,16-,17-,18?,20?,21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+4n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The binding capacity of the compounds was measured using a competition Fluorescence-Polarisation based assay with fluorescine labelled cyclosporin.


US Patent US9975902 (2018)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D


(Homo sapiens (Human))
BDBM394273
PNG
(US9975902, Example 3)
Show SMILES O[C@@H]1COC2C[C@H]1Nc1ccc(CNC(=O)CN3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3=O)cc21
Show InChI InChI=1S/C23H27N3O5/c27-17-10-31-18-7-16(17)25-15-4-1-11(5-14(15)18)8-24-19(28)9-26-22(29)20-12-2-3-13(6-12)21(20)23(26)30/h1,4-5,12-13,16-18,20-21,25,27H,2-3,6-10H2,(H,24,28)/t12-,13+,16?,17-,18?,20-,21+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+4n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The binding capacity of the compounds was measured using a competition Fluorescence-Polarisation based assay with fluorescine labelled cyclosporin.


US Patent US9975902 (2018)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D


(Homo sapiens (Human))
BDBM394277
PNG
(US9975902, Example 7)
Show SMILES Nc1ccc(CCNC(=O)CN2C(=O)C3CCCCC3C2=O)cc1
Show InChI InChI=1S/C18H23N3O3/c19-13-7-5-12(6-8-13)9-10-20-16(22)11-21-17(23)14-3-1-2-4-15(14)18(21)24/h5-8,14-15H,1-4,9-11,19H2,(H,20,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.05E+5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The binding capacity of the compounds was measured using a competition Fluorescence-Polarisation based assay with fluorescine labelled cyclosporin.


US Patent US9975902 (2018)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D


(Homo sapiens (Human))
BDBM394278
PNG
(US9975902, Example 8)
Show SMILES Nc1ccc(CNC(=O)CN2C(=O)C3C4CCC(O4)C3C2=O)cc1
Show InChI InChI=1S/C17H19N3O4/c18-10-3-1-9(2-4-10)7-19-13(21)8-20-16(22)14-11-5-6-12(24-11)15(14)17(20)23/h1-4,11-12,14-15H,5-8,18H2,(H,19,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.05E+5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The binding capacity of the compounds was measured using a competition Fluorescence-Polarisation based assay with fluorescine labelled cyclosporin.


US Patent US9975902 (2018)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D


(Homo sapiens (Human))
BDBM394281
PNG
(US9975902, Example 11)
Show SMILES CCC1Oc2cc(ccc2NC1=O)C(C)NC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O
Show InChI InChI=1S/C23H27N3O5/c1-3-16-21(28)25-15-7-6-12(9-17(15)31-16)11(2)24-18(27)10-26-22(29)19-13-4-5-14(8-13)20(19)23(26)30/h6-7,9,11,13-14,16,19-20H,3-5,8,10H2,1-2H3,(H,24,27)(H,25,28)/t11?,13-,14+,16?,19-,20+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.05E+5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The binding capacity of the compounds was measured using a competition Fluorescence-Polarisation based assay with fluorescine labelled cyclosporin.


US Patent US9975902 (2018)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D


(Homo sapiens (Human))
BDBM394276
PNG
(US9975902, Example 6)
Show SMILES CCN1Cc2cc(CNC(=O)CN3C(=O)C4[C@@H]5CC[C@@H](C5)[C@H]4C3=O)ccc2NCCC1=O
Show InChI InChI=1S/C24H30N4O4/c1-2-27-12-17-9-14(3-6-18(17)25-8-7-20(27)30)11-26-19(29)13-28-23(31)21-15-4-5-16(10-15)22(21)24(28)32/h3,6,9,15-16,21-22,25H,2,4-5,7-8,10-13H2,1H3,(H,26,29)/t15-,16+,21+,22?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.05E+5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The binding capacity of the compounds was measured using a competition Fluorescence-Polarisation based assay with fluorescine labelled cyclosporin.


US Patent US9975902 (2018)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D


(Homo sapiens (Human))
BDBM394274
PNG
(US9975902, Example 4)
Show SMILES [O-][N+](=O)c1ccc(CNC(=O)CN2C(=O)C3[C@@H]4CCC(C4)[C@@H]3C2=O)cc1
Show InChI InChI=1S/C18H19N3O5/c22-14(19-8-10-1-5-13(6-2-10)21(25)26)9-20-17(23)15-11-3-4-12(7-11)16(15)18(20)24/h1-2,5-6,11-12,15-16H,3-4,7-9H2,(H,19,22)/t11-,12?,15?,16+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.05E+5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The peptidyl-proline isomerase activity (PPase) was determined by using a PPase-chymotrypsin coupled assay with suc-AAPF-p-NA as substrated and color...


US Patent US9975902 (2018)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D


(Homo sapiens (Human))
BDBM394279
PNG
(US9975902, Example 9)
Show SMILES O=C(CN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)NCCc1ccc2NCCCc2c1
Show InChI InChI=1S/C22H27N3O3/c26-18(24-9-7-13-3-6-17-14(10-13)2-1-8-23-17)12-25-21(27)19-15-4-5-16(11-15)20(19)22(25)28/h3,6,10,15-16,19-20,23H,1-2,4-5,7-9,11-12H2,(H,24,26)/t15-,16+,19-,20+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.05E+5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The binding capacity of the compounds was measured using a competition Fluorescence-Polarisation based assay with fluorescine labelled cyclosporin.


US Patent US9975902 (2018)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D


(Homo sapiens (Human))
BDBM394275
PNG
(US9975902, Example 5)
Show SMILES Nc1ccc(cc1)C1(CC1)NC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O
Show InChI InChI=1S/C20H23N3O3/c21-14-5-3-13(4-6-14)20(7-8-20)22-15(24)10-23-18(25)16-11-1-2-12(9-11)17(16)19(23)26/h3-6,11-12,16-17H,1-2,7-10,21H2,(H,22,24)/t11-,12+,16-,17+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.05E+5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The binding capacity of the compounds was measured using a competition Fluorescence-Polarisation based assay with fluorescine labelled cyclosporin.


US Patent US9975902 (2018)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D


(Homo sapiens (Human))
BDBM394280
PNG
(US9975902, Example 10)
Show SMILES [O-][N+](=O)c1ccc(CCNC(=O)CN2C(=O)C3[C@@H]4CCC(C4)[C@@H]3C2=O)cc1
Show InChI InChI=1S/C19H21N3O5/c23-15(20-8-7-11-1-5-14(6-2-11)22(26)27)10-21-18(24)16-12-3-4-13(9-12)17(16)19(21)25/h1-2,5-6,12-13,16-17H,3-4,7-10H2,(H,20,23)/t12-,13?,16?,17+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.05E+5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The binding capacity of the compounds was measured using a competition Fluorescence-Polarisation based assay with fluorescine labelled cyclosporin.


US Patent US9975902 (2018)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%