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BDBM50072177 (1S,2S,3S)-2-[1-Amino-1-carboxy-2-(9H-xanthen-9-yl)-ethyl]-3-butyl-cyclopropanecarboxylic acid::CHEMBL95868

SMILES: CCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O

InChI Key: InChIKey=SNDLXDNVZFYFQU-CHYAVIAWSA-N

Data: 7 IC50

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 7 hits for monomerid = 50072177   
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
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50072177
PNG
((1S,2S,3S)-2-[1-Amino-1-carboxy-2-(9H-xanthen-9-yl...)
Show SMILES CCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C24H27NO5/c1-2-3-8-16-20(22(26)27)21(16)24(25,23(28)29)13-17-14-9-4-6-11-18(14)30-19-12-7-5-10-15(17)19/h4-7,9-12,16-17,20-21H,2-3,8,13,25H2,1H3,(H,26,27)(H,28,29)/t16-,20+,21+,24?/m1/s1
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PC sid
UniChem

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Article
PubMed
n/an/a 5.70E+4n/an/an/an/an/an/a



Centro de Investigación Lilly, SA

Curated by ChEMBL


Assay Description
Antagonistic activity against metabotropic glutamate receptor 1 (mGluR1) was evaluated


Bioorg Med Chem Lett 8: 2849-54 (1999)


Article DOI: 10.1016/s0960-894x(98)00510-1
BindingDB Entry DOI: 10.7270/Q2Z0379C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM50072177
PNG
((1S,2S,3S)-2-[1-Amino-1-carboxy-2-(9H-xanthen-9-yl...)
Show SMILES CCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C24H27NO5/c1-2-3-8-16-20(22(26)27)21(16)24(25,23(28)29)13-17-14-9-4-6-11-18(14)30-19-12-7-5-10-15(17)19/h4-7,9-12,16-17,20-21H,2-3,8,13,25H2,1H3,(H,26,27)(H,28,29)/t16-,20+,21+,24?/m1/s1
UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
n/an/a 1.32E+3n/an/an/an/an/an/a



Centro de Investigación Lilly, SA

Curated by ChEMBL


Assay Description
Antagonistic activity against metabotropic glutamate receptor 2 (mGluR2) was evaluated


Bioorg Med Chem Lett 8: 2849-54 (1999)


Article DOI: 10.1016/s0960-894x(98)00510-1
BindingDB Entry DOI: 10.7270/Q2Z0379C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50072177
PNG
((1S,2S,3S)-2-[1-Amino-1-carboxy-2-(9H-xanthen-9-yl...)
Show SMILES CCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C24H27NO5/c1-2-3-8-16-20(22(26)27)21(16)24(25,23(28)29)13-17-14-9-4-6-11-18(14)30-19-12-7-5-10-15(17)19/h4-7,9-12,16-17,20-21H,2-3,8,13,25H2,1H3,(H,26,27)(H,28,29)/t16-,20+,21+,24?/m1/s1
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KEGG

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Centro de Investigación Lilly, SA

Curated by ChEMBL


Assay Description
Antagonistic activity against metabotropic glutamate receptor 5 (mGluR5) was evaluated


Bioorg Med Chem Lett 8: 2849-54 (1999)


Article DOI: 10.1016/s0960-894x(98)00510-1
BindingDB Entry DOI: 10.7270/Q2Z0379C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM50072177
PNG
((1S,2S,3S)-2-[1-Amino-1-carboxy-2-(9H-xanthen-9-yl...)
Show SMILES CCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C24H27NO5/c1-2-3-8-16-20(22(26)27)21(16)24(25,23(28)29)13-17-14-9-4-6-11-18(14)30-19-12-7-5-10-15(17)19/h4-7,9-12,16-17,20-21H,2-3,8,13,25H2,1H3,(H,26,27)(H,28,29)/t16-,20+,21+,24?/m1/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.01E+4n/an/an/an/an/an/a



Centro de Investigación Lilly, SA

Curated by ChEMBL


Assay Description
Antagonistic activity against metabotropic glutamate receptor 4 (mGluR4) was evaluated


Bioorg Med Chem Lett 8: 2849-54 (1999)


Article DOI: 10.1016/s0960-894x(98)00510-1
BindingDB Entry DOI: 10.7270/Q2Z0379C
More data for this
Ligand-Target Pair
GRM7


(HUMAN)
BDBM50072177
PNG
((1S,2S,3S)-2-[1-Amino-1-carboxy-2-(9H-xanthen-9-yl...)
Show SMILES CCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C24H27NO5/c1-2-3-8-16-20(22(26)27)21(16)24(25,23(28)29)13-17-14-9-4-6-11-18(14)30-19-12-7-5-10-15(17)19/h4-7,9-12,16-17,20-21H,2-3,8,13,25H2,1H3,(H,26,27)(H,28,29)/t16-,20+,21+,24?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.42E+3n/an/an/an/an/an/a



Centro de Investigación Lilly, SA

Curated by ChEMBL


Assay Description
Antagonistic activity against metabotropic glutamate receptor 7 (mGluR7) was evaluated


Bioorg Med Chem Lett 8: 2849-54 (1999)


Article DOI: 10.1016/s0960-894x(98)00510-1
BindingDB Entry DOI: 10.7270/Q2Z0379C
More data for this
Ligand-Target Pair
GRM8


(HUMAN)
BDBM50072177
PNG
((1S,2S,3S)-2-[1-Amino-1-carboxy-2-(9H-xanthen-9-yl...)
Show SMILES CCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C24H27NO5/c1-2-3-8-16-20(22(26)27)21(16)24(25,23(28)29)13-17-14-9-4-6-11-18(14)30-19-12-7-5-10-15(17)19/h4-7,9-12,16-17,20-21H,2-3,8,13,25H2,1H3,(H,26,27)(H,28,29)/t16-,20+,21+,24?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 490n/an/an/an/an/an/a



Centro de Investigación Lilly, SA

Curated by ChEMBL


Assay Description
Antagonistic activity against metabotropic glutamate receptor 8 (mGluR8) was evaluated


Bioorg Med Chem Lett 8: 2849-54 (1999)


Article DOI: 10.1016/s0960-894x(98)00510-1
BindingDB Entry DOI: 10.7270/Q2Z0379C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3 (mGlu3)


(Rattus norvegicus (Rat))
BDBM50072177
PNG
((1S,2S,3S)-2-[1-Amino-1-carboxy-2-(9H-xanthen-9-yl...)
Show SMILES CCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C24H27NO5/c1-2-3-8-16-20(22(26)27)21(16)24(25,23(28)29)13-17-14-9-4-6-11-18(14)30-19-12-7-5-10-15(17)19/h4-7,9-12,16-17,20-21H,2-3,8,13,25H2,1H3,(H,26,27)(H,28,29)/t16-,20+,21+,24?/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 29n/an/an/an/an/an/a



Centro de Investigación Lilly, SA

Curated by ChEMBL


Assay Description
Antagonistic activity against metabotropic glutamate receptor 3 (mGluR3) was evaluated


Bioorg Med Chem Lett 8: 2849-54 (1999)


Article DOI: 10.1016/s0960-894x(98)00510-1
BindingDB Entry DOI: 10.7270/Q2Z0379C
More data for this
Ligand-Target Pair