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BDBM50226436 CHEMBL401228::[L-arginyl]-[N-(2,4-dichlorophenethyl)glycyl]-N-[2-(indol-3-yl)ethyl]glycinamide

SMILES: N[C@@H](CCCN=C(N)N)C(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)N(CCc1c[nH]c2ccccc12)CC(N)=O

InChI Key: InChIKey=HXUKKLXIXURMSO-QHCPKHFHSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50226436   
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
Glutamate [NMDA] receptor subunit epsilon 1/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50226436
PNG
(CHEMBL401228 | [L-arginyl]-[N-(2,4-dichloropheneth...)
Show SMILES N[C@@H](CCCN=C(N)N)C(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)N(CCc1c[nH]c2ccccc12)CC(N)=O |wD:1.0,(-7.03,-18.3,;-5.69,-19.07,;-5.69,-20.61,;-7.03,-21.38,;-7.03,-22.92,;-8.36,-23.69,;-8.36,-25.23,;-9.7,-26,;-7.03,-26,;-4.36,-18.31,;-4.36,-16.77,;-3.03,-19.08,;-3.03,-20.62,;-1.69,-21.39,;-1.69,-22.93,;-3.03,-23.69,;-3.03,-25.23,;-1.7,-26,;-1.69,-27.54,;-.36,-25.22,;-.36,-23.68,;.97,-22.91,;-1.69,-18.31,;-.36,-19.08,;-.36,-20.62,;.97,-18.31,;.97,-16.77,;-.36,-16,;-.36,-14.46,;.88,-13.56,;.41,-12.09,;-1.13,-12.09,;-2.16,-10.94,;-3.67,-11.27,;-4.15,-12.74,;-3.11,-13.88,;-1.61,-13.56,;2.31,-19.08,;3.64,-18.31,;4.98,-19.08,;3.64,-16.77,)|
Show InChI InChI=1S/C28H36Cl2N8O3/c29-20-8-7-18(22(30)14-20)9-13-38(27(41)23(31)5-3-11-35-28(33)34)17-26(40)37(16-25(32)39)12-10-19-15-36-24-6-2-1-4-21(19)24/h1-2,4,6-8,14-15,23,36H,3,5,9-13,16-17,31H2,(H2,32,39)(H4,33,34,35)/t23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.66E+5n/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Blockade of L-glutamate/glycine-activated rat NR1/NR2A NMDA receptor expressed in Xenopus oocytes


J Med Chem 50: 6133-43 (2007)


Article DOI: 10.1021/jm070612v
BindingDB Entry DOI: 10.7270/Q2FQ9WC0
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50226436
PNG
(CHEMBL401228 | [L-arginyl]-[N-(2,4-dichloropheneth...)
Show SMILES N[C@@H](CCCN=C(N)N)C(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)N(CCc1c[nH]c2ccccc12)CC(N)=O |wD:1.0,(-7.03,-18.3,;-5.69,-19.07,;-5.69,-20.61,;-7.03,-21.38,;-7.03,-22.92,;-8.36,-23.69,;-8.36,-25.23,;-9.7,-26,;-7.03,-26,;-4.36,-18.31,;-4.36,-16.77,;-3.03,-19.08,;-3.03,-20.62,;-1.69,-21.39,;-1.69,-22.93,;-3.03,-23.69,;-3.03,-25.23,;-1.7,-26,;-1.69,-27.54,;-.36,-25.22,;-.36,-23.68,;.97,-22.91,;-1.69,-18.31,;-.36,-19.08,;-.36,-20.62,;.97,-18.31,;.97,-16.77,;-.36,-16,;-.36,-14.46,;.88,-13.56,;.41,-12.09,;-1.13,-12.09,;-2.16,-10.94,;-3.67,-11.27,;-4.15,-12.74,;-3.11,-13.88,;-1.61,-13.56,;2.31,-19.08,;3.64,-18.31,;4.98,-19.08,;3.64,-16.77,)|
Show InChI InChI=1S/C28H36Cl2N8O3/c29-20-8-7-18(22(30)14-20)9-13-38(27(41)23(31)5-3-11-35-28(33)34)17-26(40)37(16-25(32)39)12-10-19-15-36-24-6-2-1-4-21(19)24/h1-2,4,6-8,14-15,23,36H,3,5,9-13,16-17,31H2,(H2,32,39)(H4,33,34,35)/t23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 180n/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Blockade of capsaicin-activated rat TRPV1 channel expressed in Xenopus oocytes


J Med Chem 50: 6133-43 (2007)


Article DOI: 10.1021/jm070612v
BindingDB Entry DOI: 10.7270/Q2FQ9WC0
More data for this
Ligand-Target Pair