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BDBM50503144 CHEBI:35420::CHEMBL1179605

SMILES: [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OS(O)(=O)=O

InChI Key: InChIKey=DIJBBUIOWGGQOP-QGVNFLHTSA-N

Data: 2 IC50  6 EC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50503144   
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 1/2C


(Homo sapiens (Human))
BDBM50503144
PNG
(CHEBI:35420 | CHEMBL1179605)
Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OS(O)(=O)=O |t:19|
Show InChI InChI=1S/C21H32O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19H,5-12H2,1-3H3,(H,23,24,25)/t15-,16-,17+,18-,19-,20-,21+/m0/s1
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PubMed
n/an/a 1.12E+5n/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Negative allosteric modulation of GluN2C receptor (unknown origin) expressed in xenopus laevis oocytes assessed as reduction in glycine-induced chann...


J Med Chem 62: 3-23 (2019)


Article DOI: 10.1021/acs.jmedchem.7b01640
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50503144
PNG
(CHEBI:35420 | CHEMBL1179605)
Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OS(O)(=O)=O |t:19|
Show InChI InChI=1S/C21H32O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19H,5-12H2,1-3H3,(H,23,24,25)/t15-,16-,17+,18-,19-,20-,21+/m0/s1
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n/an/an/an/a 3.30E+4n/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Positive allosteric modulation of GluN2B receptor (unknown origin) expressed in xenopus laevis oocytes assessed as increase in glycine-induced channe...


J Med Chem 62: 3-23 (2019)


Article DOI: 10.1021/acs.jmedchem.7b01640
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase


(Candida glabrata)
BDBM50503144
PNG
(CHEBI:35420 | CHEMBL1179605)
Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OS(O)(=O)=O |t:19|
Show InChI InChI=1S/C21H32O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19H,5-12H2,1-3H3,(H,23,24,25)/t15-,16-,17+,18-,19-,20-,21+/m0/s1
UniProtKB/TrEMBL

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n/an/an/an/a 3.40E+4n/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Positive allosteric modulation of EGFP-fused human GluN2A receptor expressed in HEK293T cells assessed as increase in glycine-induced channel current...


J Med Chem 62: 3-23 (2019)


Article DOI: 10.1021/acs.jmedchem.7b01640
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50503144
PNG
(CHEBI:35420 | CHEMBL1179605)
Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OS(O)(=O)=O |t:19|
Show InChI InChI=1S/C21H32O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19H,5-12H2,1-3H3,(H,23,24,25)/t15-,16-,17+,18-,19-,20-,21+/m0/s1
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n/an/an/an/a 6.30E+4n/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Positive allosteric modulation of EGFP-fused human GluN2B receptor expressed in HEK293T cells assessed as increase in glycine-induced channel current...


J Med Chem 62: 3-23 (2019)


Article DOI: 10.1021/acs.jmedchem.7b01640
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(Homo sapiens (Human))
BDBM50503144
PNG
(CHEBI:35420 | CHEMBL1179605)
Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OS(O)(=O)=O |t:19|
Show InChI InChI=1S/C21H32O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19H,5-12H2,1-3H3,(H,23,24,25)/t15-,16-,17+,18-,19-,20-,21+/m0/s1
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n/an/an/an/a 7.80E+4n/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Positive allosteric modulation of EGFP-fused human GluN2D receptor expressed in HEK293T cells assessed as increase in glycine-induced channel current...


J Med Chem 62: 3-23 (2019)


Article DOI: 10.1021/acs.jmedchem.7b01640
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(Homo sapiens (Human))
BDBM50503144
PNG
(CHEBI:35420 | CHEMBL1179605)
Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OS(O)(=O)=O |t:19|
Show InChI InChI=1S/C21H32O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19H,5-12H2,1-3H3,(H,23,24,25)/t15-,16-,17+,18-,19-,20-,21+/m0/s1
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PC cid
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n/an/a 1.18E+5n/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Negative allosteric modulation of GluN2D receptor (unknown origin) expressed in xenopus laevis oocytes assessed as reduction in glycine-induced chann...


J Med Chem 62: 3-23 (2019)


Article DOI: 10.1021/acs.jmedchem.7b01640
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase


(Candida glabrata)
BDBM50503144
PNG
(CHEBI:35420 | CHEMBL1179605)
Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OS(O)(=O)=O |t:19|
Show InChI InChI=1S/C21H32O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19H,5-12H2,1-3H3,(H,23,24,25)/t15-,16-,17+,18-,19-,20-,21+/m0/s1
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n/an/an/an/a 2.10E+4n/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Positive allosteric modulation of GluN2A receptor (unknown origin) expressed in xenopus laevis oocytes assessed as increase in glycine-induced channe...


J Med Chem 62: 3-23 (2019)


Article DOI: 10.1021/acs.jmedchem.7b01640
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2C


(Homo sapiens (Human))
BDBM50503144
PNG
(CHEBI:35420 | CHEMBL1179605)
Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OS(O)(=O)=O |t:19|
Show InChI InChI=1S/C21H32O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19H,5-12H2,1-3H3,(H,23,24,25)/t15-,16-,17+,18-,19-,20-,21+/m0/s1
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KEGG
PC cid
PC sid
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PubMed
n/an/an/an/a 8.30E+4n/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Positive allosteric modulation of EGFP-fused human GluN2C receptor expressed in HEK293T cells assessed as increase in glycine-induced channel current...


J Med Chem 62: 3-23 (2019)


Article DOI: 10.1021/acs.jmedchem.7b01640
More data for this
Ligand-Target Pair