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BDBM50420178 GUANIDINE

SMILES: NC(N)=N

InChI Key: InChIKey=ZRALSGWEFCBTJO-UHFFFAOYSA-N

Data: 4 KI  3 IC50  7 EC50

PDB links: 103 PDB IDs match this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50420178   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adrenaline alpha2


(RAT)
BDBM50420178
PNG
(GUANIDINE)
Show SMILES NC(N)=N
Show InChI InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)
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2.80E+5n/an/an/an/an/an/an/an/a



University of Heidelberg

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of MPP+ uptake in OCT2-expressing HEK293 cells


Mol Pharmacol 56: 1-10 (1999)


Article DOI: 10.1124/mol.56.1.1
BindingDB Entry DOI: 10.7270/Q2KK9D21
More data for this
Ligand-Target Pair
Adrenaline alpha2


(RAT)
BDBM50420178
PNG
(GUANIDINE)
Show SMILES NC(N)=N
Show InChI InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)
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7.14E+5n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake (basolateral to cell) in OCT2-expressing MDCK cells


J Pharmacol Exp Ther 287: 800-5 (1998)


BindingDB Entry DOI: 10.7270/Q2D79CQ4
More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM50420178
PNG
(GUANIDINE)
Show SMILES NC(N)=N
Show InChI InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)
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7.24E+5n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake (basolateral to cell) in OCT1-expressing MDCK cells


J Pharmacol Exp Ther 287: 800-5 (1998)


BindingDB Entry DOI: 10.7270/Q2D79CQ4
More data for this
Ligand-Target Pair
Solute carrier family 22 member 3


(Homo sapiens (Human))
BDBM50420178
PNG
(GUANIDINE)
Show SMILES NC(N)=N
Show InChI InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)
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6.20E+6n/an/an/an/an/an/an/an/a



Medical College of Georgia

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of MPP+ uptake in OCT3-expressing HRPE cells


Am J Physiol Renal Physiol 279: 449-58 (2000)


Article DOI: 10.1152/ajprenal.2000.279.3.f449
BindingDB Entry DOI: 10.7270/Q2708482
More data for this
Ligand-Target Pair
Adrenaline alpha2


(RAT)
BDBM50420178
PNG
(GUANIDINE)
Show SMILES NC(N)=N
Show InChI InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)
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n/an/a 1.71E+5n/an/an/an/an/an/a



Institute of Anatomy of the Bayerische Julius-Maximilians-Universit£t

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in Xenopus laevis oocytes


Am J Physiol Renal Physiol 281: 454-68 (2001)


Article DOI: 10.1152/ajprenal.2001.281.3.F454
BindingDB Entry DOI: 10.7270/Q2BR8TF3
More data for this
Ligand-Target Pair
Solute carrier family 22 member 3


(Homo sapiens (Human))
BDBM50420178
PNG
(GUANIDINE)
Show SMILES NC(N)=N
Show InChI InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)
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n/an/a 2.20E+6n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of OCT3 (unknown origin)


Bioorg Med Chem Lett 27: 4440-4445 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.008
BindingDB Entry DOI: 10.7270/Q24M970C
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50420178
PNG
(GUANIDINE)
Show SMILES NC(N)=N
Show InChI InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)
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n/an/an/an/a 9.91E+8n/an/an/an/a



Universit£ Catholique de Louvain (UCLouvain)

Curated by ChEMBL


Assay Description
Binding affinity full length human N-terminal His6-tagged LDH-H K4A mutant expressed in Escherichia coli Rosetta (DE3) assessed as tetrameric disrupt...


J Med Chem 63: 4628-4643 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01955
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50420178
PNG
(GUANIDINE)
Show SMILES NC(N)=N
Show InChI InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)
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n/an/an/an/a 6.24E+8n/an/an/an/a



Universit£ Catholique de Louvain (UCLouvain)

Curated by ChEMBL


Assay Description
Binding affinity full length human N-terminal His6-tagged LDH-H L3A mutant expressed in Escherichia coli Rosetta (DE3) assessed as tetrameric disrupt...


J Med Chem 63: 4628-4643 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01955
More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM50420178
PNG
(GUANIDINE)
Show SMILES NC(N)=N
Show InChI InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)
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n/an/a 4.47E+6n/an/an/an/an/an/a



Institute of Anatomy of the Bayerische Julius-Maximilians-Universit£t

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in Xenopus laevis oocytes


Am J Physiol Renal Physiol 281: 454-68 (2001)


Article DOI: 10.1152/ajprenal.2001.281.3.F454
BindingDB Entry DOI: 10.7270/Q2BR8TF3
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50420178
PNG
(GUANIDINE)
Show SMILES NC(N)=N
Show InChI InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)
PDB
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n/an/an/an/a 9.54E+8n/an/an/an/a



Universit£ Catholique de Louvain (UCLouvain)

Curated by ChEMBL


Assay Description
Binding affinity full length human N-terminal His6-tagged LDH-H K6A mutant expressed in Escherichia coli Rosetta (DE3) assessed as tetrameric disrupt...


J Med Chem 63: 4628-4643 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01955
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50420178
PNG
(GUANIDINE)
Show SMILES NC(N)=N
Show InChI InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)
PDB
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n/an/an/an/a 9.78E+8n/an/an/an/a



Universit£ Catholique de Louvain (UCLouvain)

Curated by ChEMBL


Assay Description
Binding affinity full length human N-terminal His6-tagged LDH-H T2A mutant expressed in Escherichia coli Rosetta (DE3) assessed as tetrameric disrupt...


J Med Chem 63: 4628-4643 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01955
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50420178
PNG
(GUANIDINE)
Show SMILES NC(N)=N
Show InChI InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)
PDB
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n/an/an/an/a 1.11E+9n/an/an/an/a



Universit£ Catholique de Louvain (UCLouvain)

Curated by ChEMBL


Assay Description
Binding affinity to full length human N-terminal His6-tagged LDH-H expressed in Escherichia coli Rosetta (DE3) assessed as tetrameric disruption by n...


J Med Chem 63: 4628-4643 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01955
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50420178
PNG
(GUANIDINE)
Show SMILES NC(N)=N
Show InChI InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)
PDB
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n/an/an/an/a 2.33E+8n/an/an/an/a



Universit£ Catholique de Louvain (UCLouvain)

Curated by ChEMBL


Assay Description
Binding affinity full length human N-terminal His6-tagged LDH-H I8A mutant expressed in Escherichia coli Rosetta (DE3) assessed as tetrameric disrupt...


J Med Chem 63: 4628-4643 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01955
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50420178
PNG
(GUANIDINE)
Show SMILES NC(N)=N
Show InChI InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)
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n/an/an/an/a 1.01E+9n/an/an/an/a



Universit£ Catholique de Louvain (UCLouvain)

Curated by ChEMBL


Assay Description
Binding affinity full length human N-terminal His6-tagged LDH-H E5A mutant expressed in Escherichia coli Rosetta (DE3) assessed as tetrameric disrupt...


J Med Chem 63: 4628-4643 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01955
More data for this
Ligand-Target Pair