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6 similar compounds to monomer 50142441

Compile data set for download or QSAR
Wt: 227.6
BDBM50214319
Wt: 695.8
BDBM50077024
Wt: 410.5
BDBM50146175
Wt: 213.5
BDBM50214334
Wt: 248.0
BDBM50214337
Wt: 305.0
BDBM50214339

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50214319,50077024,50146175,50214334,50214337,50214339   
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
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM50214337
PNG
(CHEMBL327343)
Show SMILES Oc1nc2cc(Cl)c(Cl)[n+]([O-])c2nc1O
Show InChI InChI=1S/C7H3Cl2N3O3/c8-2-1-3-5(12(15)4(2)9)11-7(14)6(13)10-3/h1H,(H,10,13)(H,11,14)
PDB

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112n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro binding affinity for glycine site on the NMDA receptor.


Citation and Details
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM50214319
PNG
(CHEMBL330190)
Show SMILES Cc1c(Cl)c[n+]([O-])c2nc(O)c(O)nc12
Show InChI InChI=1S/C8H6ClN3O3/c1-3-4(9)2-12(15)6-5(3)10-7(13)8(14)11-6/h2H,1H3,(H,10,13)(H,11,14)
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372n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro binding affinity for glycine site on the NMDA receptor.


Citation and Details
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM50214339
PNG
(CHEMBL432648)
Show SMILES Oc1nc2cc(I)c[n+]([O-])c2nc1O
Show InChI InChI=1S/C7H4IN3O3/c8-3-1-4-5(11(14)2-3)10-7(13)6(12)9-4/h1-2H,(H,9,12)(H,10,13)
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741n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro binding affinity for glycine site on the NMDA receptor.


Citation and Details
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM50214334
PNG
(CHEMBL92646)
Show SMILES Oc1nc2ccc(Cl)[n+]([O-])c2nc1O
Show InChI InChI=1S/C7H4ClN3O3/c8-4-2-1-3-5(11(4)14)10-7(13)6(12)9-3/h1-2H,(H,9,12)(H,10,13)
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4.68E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro binding affinity for glycine site on the NMDA receptor.


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens (Human))
BDBM50146175
PNG
(CHEMBL3763569)
Show SMILES CC(C)OCC(=O)N1c2ccccc2CCc2ccc(NC(=O)OC(C)(C)C)cc12
Show InChI InChI=1S/C24H30N2O4/c1-16(2)29-15-22(27)26-20-9-7-6-8-17(20)10-11-18-12-13-19(14-21(18)26)25-23(28)30-24(3,4)5/h6-9,12-14,16H,10-11,15H2,1-5H3,(H,25,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
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Article
PubMed
n/an/a 116n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as...


Eur J Med Chem 108: 505-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))
BDBM50077024
PNG
(CHEMBL3416687)
Show SMILES N[C@@H](CCc1ccc(OCc2ccccc2)cc1)C(=O)Nc1cc(ccc1N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1
Show InChI InChI=1S/C42H41N5O5/c43-35-22-18-31(23-38(35)46-41(49)36(44)21-17-28-15-19-33(20-16-28)51-26-29-9-3-1-4-10-29)40(48)47-39(42(50)52-27-30-11-5-2-6-12-30)24-32-25-45-37-14-8-7-13-34(32)37/h1-16,18-20,22-23,25,36,39,45H,17,21,24,26-27,43-44H2,(H,46,49)(H,47,48)/t36-,39-/m0/s1
PDB

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Article
PubMed
n/an/a 933n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IRAP expressed in baculovirus infected cabbage looper ovary Hi5 cells using L-leucine-7-amido-4-methyl coumarin as su...


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50077024
PNG
(CHEMBL3416687)
Show SMILES N[C@@H](CCc1ccc(OCc2ccccc2)cc1)C(=O)Nc1cc(ccc1N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1
Show InChI InChI=1S/C42H41N5O5/c43-35-22-18-31(23-38(35)46-41(49)36(44)21-17-28-15-19-33(20-16-28)51-26-29-9-3-1-4-10-29)40(48)47-39(42(50)52-27-30-11-5-2-6-12-30)24-32-25-45-37-14-8-7-13-34(32)37/h1-16,18-20,22-23,25,36,39,45H,17,21,24,26-27,43-44H2,(H,46,49)(H,47,48)/t36-,39-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ERAP1 expressed in baculovirus infected Sf9 cells using L-leucine-7-amido-4-methyl coumarin as substrate after 5 to 1...


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 2


(Homo sapiens (Human))
BDBM50077024
PNG
(CHEMBL3416687)
Show SMILES N[C@@H](CCc1ccc(OCc2ccccc2)cc1)C(=O)Nc1cc(ccc1N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1
Show InChI InChI=1S/C42H41N5O5/c43-35-22-18-31(23-38(35)46-41(49)36(44)21-17-28-15-19-33(20-16-28)51-26-29-9-3-1-4-10-29)40(48)47-39(42(50)52-27-30-11-5-2-6-12-30)24-32-25-45-37-14-8-7-13-34(32)37/h1-16,18-20,22-23,25,36,39,45H,17,21,24,26-27,43-44H2,(H,46,49)(H,47,48)/t36-,39-/m0/s1
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ERAP2 expressed in baculovirus infected cabbage looper ovary Hi5 cells using L-arginyl-7-amido-4-methyl coumarin as s...


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair