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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
pH (Enzymatic Assay)
pH (ITC)
Substrate or Competitor
Compound Mol. Wt.
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/
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85%
100%
Seq ID
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Ki
IC50
Kd
EC50
ΔG°
ΔH°
-TΔS°
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Sent Comments
null
SMILES:
NCCCP(=O)=O
InChI Key:
InChIKey=MQIWYGZSHIXQIU-UHFFFAOYSA-N
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 = 50032962
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Gamma-aminobutyric acid type B receptor subunit 1
(Rattus norvegicus (Rat))
BDBM50032962
(((Z)-3-Amino-propenyl)-phosphinic acid | CGP38593 ...)
Show SMILES
NCCCP(=O)=O
Show InChI
InChI=1S/C3H8NO2P/c4-2-1-3-7(5)6/h1-4H2
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
PubMed
280
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
University of Sydney
Curated by
PDSP K
i
Database
Eur J Pharmacol
329:
223
-
9
(1997)
BindingDB Entry DOI:
10.7270/Q2H41PZV
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1
(Rattus norvegicus (Rat))
BDBM50032962
(((Z)-3-Amino-propenyl)-phosphinic acid | CGP38593 ...)
Show SMILES
NCCCP(=O)=O
Show InChI
InChI=1S/C3H8NO2P/c4-2-1-3-7(5)6/h1-4H2
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
PubMed
4.40E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
University of Sydney
Curated by
PDSP K
i
Database
Eur J Pharmacol
329:
223
-
9
(1997)
BindingDB Entry DOI:
10.7270/Q2H41PZV
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1
(Rattus norvegicus (Rat))
BDBM50032962
(((Z)-3-Amino-propenyl)-phosphinic acid | CGP38593 ...)
Show SMILES
NCCCP(=O)=O
Show InChI
InChI=1S/C3H8NO2P/c4-2-1-3-7(5)6/h1-4H2
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
PubMed
6.60E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
University of Sydney
Curated by
PDSP K
i
Database
Eur J Pharmacol
329:
223
-
9
(1997)
BindingDB Entry DOI:
10.7270/Q2H41PZV
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3
(Homo sapiens (Human))
BDBM50032962
(((Z)-3-Amino-propenyl)-phosphinic acid | CGP38593 ...)
Show SMILES
NCCCP(=O)=O
Show InChI
InChI=1S/C3H8NO2P/c4-2-1-3-7(5)6/h1-4H2
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
PubMed
7.70E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
University of Sydney
Curated by
PDSP K
i
Database
Eur J Pharmacol
329:
223
-
9
(1997)
BindingDB Entry DOI:
10.7270/Q2H41PZV
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3
(Homo sapiens (Human))
BDBM50032962
(((Z)-3-Amino-propenyl)-phosphinic acid | CGP38593 ...)
Show SMILES
NCCCP(=O)=O
Show InChI
InChI=1S/C3H8NO2P/c4-2-1-3-7(5)6/h1-4H2
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
PubMed
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
University of Sydney
Curated by
PDSP K
i
Database
Eur J Pharmacol
329:
223
-
9
(1997)
BindingDB Entry DOI:
10.7270/Q2H41PZV
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1/2
(Homo sapiens (Human))
BDBM50032962
(((Z)-3-Amino-propenyl)-phosphinic acid | CGP38593 ...)
Show SMILES
NCCCP(=O)=O
Show InChI
InChI=1S/C3H8NO2P/c4-2-1-3-7(5)6/h1-4H2
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
PubMed
n/a
n/a
280
n/a
n/a
n/a
n/a
n/a
n/a
CIBA-GEIGY AG
Curated by
ChEMBL
Assay Description
Inhibition of [3H]-baclofen binding to Gamma-aminobutyric acid type B receptor of cat cerebellum
J Med Chem
38:
3297
-
312
(1995)
BindingDB Entry DOI:
10.7270/Q2N58KDP
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1/2
(Homo sapiens (Human))
BDBM50032962
(((Z)-3-Amino-propenyl)-phosphinic acid | CGP38593 ...)
Show SMILES
NCCCP(=O)=O
Show InChI
InChI=1S/C3H8NO2P/c4-2-1-3-7(5)6/h1-4H2
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
PubMed
n/a
n/a
4.41E+3
n/a
n/a
n/a
n/a
n/a
n/a
CIBA-GEIGY AG
Curated by
ChEMBL
Assay Description
Inhibition of [3H]-baclofen binding to Gamma-aminobutyric acid type B receptor of cat cerebellum
J Med Chem
38:
3297
-
312
(1995)
BindingDB Entry DOI:
10.7270/Q2N58KDP
More data for this
Ligand-Target Pair
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