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3 similar compounds to monomer 64562

Compile data set for download or QSAR
Wt: 619.6
BDBM64561
Wt: 355.3
BDBM65006
Wt: 402.4
BDBM65244

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 64561,65006,65244   
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
Glutaminyl Cyclase


(Homo sapiens (Human))
BDBM65006
PNG
(US8486940, 209)
Show SMILES O=C1OC[C@@H](N1c1ccc2[nH]cnc2c1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1/C22H17N3O2/c26-22-25(18-10-11-19-20(12-18)24-14-23-19)21(13-27-22)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-12,14,21H,13H2,(H,23,24)/t21-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a<1.00E+4n/an/an/an/an/an/a



Probiodrug AG

US Patent


Assay Description
Spectrophotometic Assay: This novel assay was used to determine the kinetic parameters for most of the QC substrates. QC activity was analyzed spect...


US Patent US8486940 (2013)


BindingDB Entry DOI: 10.7270/Q2251GSF
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65244
PNG
(US9522888, 574)
Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](CCc2c1)c1ccncc1
Show InChI InChI=1/C21H27N2O4P/c22-21(14-27-28(24,25)26)8-5-20(13-21)19-4-3-17-11-16(1-2-18(17)12-19)15-6-9-23-10-7-15/h3-4,6-7,9-10,12,16,20H,1-2,5,8,11,13-14,22H2,(H2,24,25,26)/t16-,20-,21+/s2
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US Patent
n/an/a 550n/an/an/an/a7.525



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Parathyroid hormone (PTH)


(Homo sapiens (Human))
BDBM64561
PNG
(US9428505, Compound 6)
Show SMILES Cc1cc(cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(NC2=O)c1cccc(c1)C(F)(F)F)N1C(=O)NC(=O)C1(C)C
Show InChI InChI=1S/C29H32F3N5O5S/c1-17-14-21(37-26(40)34-24(38)27(37,3)4)15-18(2)22(17)8-13-43(41,42)36-11-9-28(10-12-36)25(39)33-23(35-28)19-6-5-7-20(16-19)29(30,31)32/h5-7,14-16H,8-13H2,1-4H3,(H,33,35,39)(H,34,38,40)
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US Patent
n/an/an/an/a 9.00E+3n/an/a7.4n/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
HKRK-B7 or LLC-PK1 cells were seeded into a 96-well plate at 1105 cells/well and incubated overnight. On the following day, 50 μl of cAMP assay...


US Patent US9428505 (2016)


BindingDB Entry DOI: 10.7270/Q2VQ31KS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM65244
PNG
(US9522888, 574)
Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](CCc2c1)c1ccncc1
Show InChI InChI=1/C21H27N2O4P/c22-21(14-27-28(24,25)26)8-5-20(13-21)19-4-3-17-11-16(1-2-18(17)12-19)15-6-9-23-10-7-15/h3-4,6-7,9-10,12,16,20H,1-2,5,8,11,13-14,22H2,(H2,24,25,26)/t16-,20-,21+/s2
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US Patent
n/an/an/an/a>625n/an/an/a60



Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Gal...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM65244
PNG
(US9522888, 574)
Show SMILES N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](CCc2c1)c1ccncc1
Show InChI InChI=1/C21H27N2O4P/c22-21(14-27-28(24,25)26)8-5-20(13-21)19-4-3-17-11-16(1-2-18(17)12-19)15-6-9-23-10-7-15/h3-4,6-7,9-10,12,16,20H,1-2,5,8,11,13-14,22H2,(H2,24,25,26)/t16-,20-,21+/s2
PDB

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US Patent
n/an/an/an/a 55n/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced w...


US Patent US9522888 (2016)


BindingDB Entry DOI: 10.7270/Q20K27HV
More data for this
Ligand-Target Pair