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12 similar compounds to monomer 50190491

Compile data set for download or QSAR
Wt: 229.6
BDBM16173
Purchase
Wt: 361.8
BDBM50190456
Wt: 389.8
BDBM50190461
Wt: 391.8
BDBM50190464
Wt: 376.8
BDBM50190465
Wt: 417.9
BDBM50190469
Wt: 375.8
BDBM50190470
Wt: 273.6
BDBM50190473
Wt: 347.8
BDBM50190479
Wt: 391.8
BDBM50190481
Wt: 333.7
BDBM50190485
Wt: 341.8
BDBM50190492

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 65 hits for monomerid = 16173,50190456,50190461,50190464,50190465,50190469,50190470,50190473,50190479,50190481,50190485,50190492   
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
Adenosine A1 receptor


(BOVINE)
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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2.00E+3n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by PDSP Ki Database




J Recept Res 11: 891-907 (1991)


BindingDB Entry DOI: 10.7270/Q2TH8K5J
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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Article
PubMed
2.51E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of urokinase


J Med Chem 52: 3159-65 (2009)


Article DOI: 10.1021/jm801444x
BindingDB Entry DOI: 10.7270/Q2FF3TM8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine receptor A2


(Homo sapiens (Human))
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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3.28E+3n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity for HA-tagged mutant human Adenosine A2A receptor (H250N) using [3H]-CGS-21,680 as radioligand expressed in COS-7 cells


J Med Chem 40: 2588-95 (1997)


Article DOI: 10.1021/jm970084v
BindingDB Entry DOI: 10.7270/Q27M08MC
More data for this
Ligand-Target Pair
Adrenaline alpha2


(RAT)
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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PubMed
4.70E+3n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake in OCT2-expressing MDCK cells


Pharm Res 18: 1528-34 (2001)


Article DOI: 10.1023/a:1013070128668
BindingDB Entry DOI: 10.7270/Q28G8N0T
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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PubMed
5.30E+3 -7.19n/an/an/an/an/a8.025



Max-Planck-Institut fuer Biochemie



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used in t...


J Mol Biol 301: 465-75 (2000)


Article DOI: 10.1006/jmbi.2000.3966
BindingDB Entry DOI: 10.7270/Q2445JRM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adrenaline alpha1


(RAT)
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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6.90E+3n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake in OCT1-expressing MDCK cells


Pharm Res 18: 1528-34 (2001)


Article DOI: 10.1023/a:1013070128668
BindingDB Entry DOI: 10.7270/Q28G8N0T
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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>1.00E+4n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by PDSP Ki Database




J Recept Res 11: 891-907 (1991)


BindingDB Entry DOI: 10.7270/Q2TH8K5J
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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>1.00E+4n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by PDSP Ki Database




J Recept Res 11: 891-907 (1991)


BindingDB Entry DOI: 10.7270/Q2TH8K5J
More data for this
Ligand-Target Pair
HTR1D


(Bos taurus (Bovine))
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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>1.00E+4n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by PDSP Ki Database




J Recept Res 11: 891-907 (1991)


BindingDB Entry DOI: 10.7270/Q2TH8K5J
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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>1.00E+4n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by PDSP Ki Database




J Recept Res 11: 891-907 (1991)


BindingDB Entry DOI: 10.7270/Q2TH8K5J
More data for this
Ligand-Target Pair
HTR2C


(PIG)
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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>1.00E+4n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by PDSP Ki Database




J Recept Res 11: 891-907 (1991)


BindingDB Entry DOI: 10.7270/Q2TH8K5J
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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>1.00E+4n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by PDSP Ki Database




J Recept Res 11: 891-907 (1991)


BindingDB Entry DOI: 10.7270/Q2TH8K5J
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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>1.00E+4n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by PDSP Ki Database




J Recept Res 11: 891-907 (1991)


BindingDB Entry DOI: 10.7270/Q2TH8K5J
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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>1.00E+4n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by PDSP Ki Database




J Recept Res 11: 891-907 (1991)


BindingDB Entry DOI: 10.7270/Q2TH8K5J
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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>1.00E+4n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by PDSP Ki Database




J Recept Res 11: 891-907 (1991)


BindingDB Entry DOI: 10.7270/Q2TH8K5J
More data for this
Ligand-Target Pair
adrenergic Alpha2


(RAT)
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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>1.00E+4n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by PDSP Ki Database




J Recept Res 11: 891-907 (1991)


BindingDB Entry DOI: 10.7270/Q2TH8K5J
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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>1.00E+4n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by PDSP Ki Database




J Recept Res 11: 891-907 (1991)


BindingDB Entry DOI: 10.7270/Q2TH8K5J
More data for this
Ligand-Target Pair
Calcium channel (DHP)


(RAT)
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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>1.00E+4n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by PDSP Ki Database




J Recept Res 11: 891-907 (1991)


BindingDB Entry DOI: 10.7270/Q2TH8K5J
More data for this
Ligand-Target Pair
Calcium release-activated calcium channel


(Homo sapiens (Human))
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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>1.00E+4n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by PDSP Ki Database




J Recept Res 11: 891-907 (1991)


BindingDB Entry DOI: 10.7270/Q2TH8K5J
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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>1.00E+4n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by PDSP Ki Database




J Recept Res 11: 891-907 (1991)


BindingDB Entry DOI: 10.7270/Q2TH8K5J
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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>1.00E+4n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by PDSP Ki Database




J Recept Res 11: 891-907 (1991)


BindingDB Entry DOI: 10.7270/Q2TH8K5J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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>1.00E+4n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by PDSP Ki Database




J Recept Res 11: 891-907 (1991)


BindingDB Entry DOI: 10.7270/Q2TH8K5J
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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>1.00E+4n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by PDSP Ki Database




J Recept Res 11: 891-907 (1991)


BindingDB Entry DOI: 10.7270/Q2TH8K5J
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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>1.00E+4n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by PDSP Ki Database




J Recept Res 11: 891-907 (1991)


BindingDB Entry DOI: 10.7270/Q2TH8K5J
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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>1.00E+4n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by PDSP Ki Database




J Recept Res 11: 891-907 (1991)


BindingDB Entry DOI: 10.7270/Q2TH8K5J
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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>1.00E+4n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by PDSP Ki Database




J Recept Res 11: 891-907 (1991)


BindingDB Entry DOI: 10.7270/Q2TH8K5J
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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>1.00E+4n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by PDSP Ki Database




J Recept Res 11: 891-907 (1991)


BindingDB Entry DOI: 10.7270/Q2TH8K5J
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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>1.00E+4n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by PDSP Ki Database




J Recept Res 11: 891-907 (1991)


BindingDB Entry DOI: 10.7270/Q2TH8K5J
More data for this
Ligand-Target Pair
Glycine


(RAT)
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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>1.00E+4n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by PDSP Ki Database




J Recept Res 11: 891-907 (1991)


BindingDB Entry DOI: 10.7270/Q2TH8K5J
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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>1.00E+4n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by PDSP Ki Database




J Recept Res 11: 891-907 (1991)


BindingDB Entry DOI: 10.7270/Q2TH8K5J
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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>1.00E+4n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by PDSP Ki Database




J Recept Res 11: 891-907 (1991)


BindingDB Entry DOI: 10.7270/Q2TH8K5J
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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>1.00E+4n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by PDSP Ki Database




J Recept Res 11: 891-907 (1991)


BindingDB Entry DOI: 10.7270/Q2TH8K5J
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat))
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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>1.00E+4n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by PDSP Ki Database




J Recept Res 11: 891-907 (1991)


BindingDB Entry DOI: 10.7270/Q2TH8K5J
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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>1.00E+4n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by PDSP Ki Database




J Recept Res 11: 891-907 (1991)


BindingDB Entry DOI: 10.7270/Q2TH8K5J
More data for this
Ligand-Target Pair
Substance K


(RAT)
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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>1.00E+4n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by PDSP Ki Database




J Recept Res 11: 891-907 (1991)


BindingDB Entry DOI: 10.7270/Q2TH8K5J
More data for this
Ligand-Target Pair
TRH


(RAT)
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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>1.00E+4n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by PDSP Ki Database




J Recept Res 11: 891-907 (1991)


BindingDB Entry DOI: 10.7270/Q2TH8K5J
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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PubMed
1.00E+4n/an/an/an/an/an/an/an/a



University of Technology

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against porcine kidney amine oxidase


Bioorg Med Chem Lett 11: 2565-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00506-6
BindingDB Entry DOI: 10.7270/Q25T3JR2
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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1.16E+4n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity for HA-tagged mutant human Adenosine A2A receptor (V84L), using [3H]CGS-21680 as radioligand expressed in COS-7 cells


J Med Chem 40: 2588-95 (1997)


Article DOI: 10.1021/jm970084v
BindingDB Entry DOI: 10.7270/Q27M08MC
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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1.20E+4n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity for HA-tagged wild type human Adenosine A2A receptor (WT) using [3H]CGS-21680 as radioligand expressed in COS-7 cells


J Med Chem 40: 2588-95 (1997)


Article DOI: 10.1021/jm970084v
BindingDB Entry DOI: 10.7270/Q27M08MC
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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3.20E+4 -6.13n/an/an/an/an/a8.025



Max-Planck-Institut fuer Biochemie



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used in t...


J Mol Biol 301: 465-75 (2000)


Article DOI: 10.1006/jmbi.2000.3966
BindingDB Entry DOI: 10.7270/Q2445JRM
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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>1.00E+6>-4.09n/an/an/an/an/a8.025



Max-Planck-Institut fuer Biochemie



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used in t...


J Mol Biol 301: 465-75 (2000)


Article DOI: 10.1006/jmbi.2000.3966
BindingDB Entry DOI: 10.7270/Q2445JRM
More data for this
Ligand-Target Pair
Amiloride-sensitive sodium channel alpha-subunit


(Homo sapiens (Human))
BDBM50190456
PNG
(CHEMBL209659 | N-(3,5-diamino-6-chloropyrazine-2-c...)
Show SMILES NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCCCCc1ccccc1
Show InChI InChI=1S/C16H20ClN7O/c17-12-14(19)23-13(18)11(22-12)15(25)24-16(20)21-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H4,18,19,23)(H3,20,21,24,25)
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n/an/a 29n/an/an/an/an/an/a



Parion Sciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of dog bronchi prototypical epithelial sodium channel by electrophysiological assay


J Med Chem 49: 4098-115 (2006)


Article DOI: 10.1021/jm051134w
BindingDB Entry DOI: 10.7270/Q2FT8KNH
More data for this
Ligand-Target Pair
Amiloride-sensitive sodium channel alpha-subunit


(Homo sapiens (Human))
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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n/an/a 776n/an/an/an/an/an/a



Parion Sciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of dog bronchi prototypical epithelial sodium channel by electrophysiological assay


J Med Chem 49: 4098-115 (2006)


Article DOI: 10.1021/jm051134w
BindingDB Entry DOI: 10.7270/Q2FT8KNH
More data for this
Ligand-Target Pair
Amiloride-sensitive sodium channel alpha-subunit


(Homo sapiens (Human))
BDBM50190461
PNG
(CHEMBL208620 | N-(3,5-diamino-6-chloropyrazine-2-c...)
Show SMILES NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCCCCCCc1ccccc1
Show InChI InChI=1S/C18H24ClN7O/c19-14-16(21)25-15(20)13(24-14)17(27)26-18(22)23-11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8,11H2,(H4,20,21,25)(H3,22,23,26,27)
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n/an/a 58n/an/an/an/an/an/a



Parion Sciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of dog bronchi prototypical epithelial sodium channel by electrophysiological assay


J Med Chem 49: 4098-115 (2006)


Article DOI: 10.1021/jm051134w
BindingDB Entry DOI: 10.7270/Q2FT8KNH
More data for this
Ligand-Target Pair
Amiloride-sensitive sodium channel alpha-subunit


(Homo sapiens (Human))
BDBM50190464
PNG
(1-(3,5-diamino-2-chloropyrazine-6-carbonyl)-3-(5-(...)
Show SMILES NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCCCCCc1ccc(O)cc1
Show InChI InChI=1S/C17H22ClN7O2/c18-13-15(20)24-14(19)12(23-13)16(27)25-17(21)22-9-3-1-2-4-10-5-7-11(26)8-6-10/h5-8,26H,1-4,9H2,(H4,19,20,24)(H3,21,22,25,27)
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n/an/a 64n/an/an/an/an/an/a



Parion Sciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of dog bronchi prototypical epithelial sodium channel by electrophysiological assay


J Med Chem 49: 4098-115 (2006)


Article DOI: 10.1021/jm051134w
BindingDB Entry DOI: 10.7270/Q2FT8KNH
More data for this
Ligand-Target Pair
Amiloride-sensitive sodium channel alpha-subunit


(Homo sapiens (Human))
BDBM50190465
PNG
(1-(4-(4-aminophenyl)butyl)-3-(3,5-diamino-2-chloro...)
Show SMILES NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCCCCc1ccc(N)cc1
Show InChI InChI=1S/C16H21ClN8O/c17-12-14(20)24-13(19)11(23-12)15(26)25-16(21)22-8-2-1-3-9-4-6-10(18)7-5-9/h4-7H,1-3,8,18H2,(H4,19,20,24)(H3,21,22,25,26)
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n/an/a 21n/an/an/an/an/an/a



Parion Sciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of dog bronchi prototypical epithelial sodium channel by electrophysiological assay


J Med Chem 49: 4098-115 (2006)


Article DOI: 10.1021/jm051134w
BindingDB Entry DOI: 10.7270/Q2FT8KNH
More data for this
Ligand-Target Pair
Amiloride-sensitive sodium channel alpha-subunit


(Homo sapiens (Human))
BDBM50190469
PNG
(CHEMBL210866 | N-(3,5-diamino-6-chloropyrazine-2-c...)
Show SMILES NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCCCCCCCCc1ccccc1
Show InChI InChI=1S/C20H28ClN7O/c21-16-18(23)27-17(22)15(26-16)19(29)28-20(24)25-13-9-4-2-1-3-6-10-14-11-7-5-8-12-14/h5,7-8,11-12H,1-4,6,9-10,13H2,(H4,22,23,27)(H3,24,25,28,29)
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n/an/a 477n/an/an/an/an/an/a



Parion Sciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of dog bronchi prototypical epithelial sodium channel by electrophysiological assay


J Med Chem 49: 4098-115 (2006)


Article DOI: 10.1021/jm051134w
BindingDB Entry DOI: 10.7270/Q2FT8KNH
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens (Human))
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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n/an/a 6.67E+4n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of platelet NHE1 in human platelet rich plasma assessed as decrease in platelet swelling preincubated for 3 mins followed by sodium propio...


Eur J Med Chem 126: 183-189 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.005
More data for this
Ligand-Target Pair
Amiloride-sensitive sodium channel alpha-subunit


(Homo sapiens (Human))
BDBM50190473
PNG
(CHEMBL377688 | N-(3,5-diamino-6-chloropyrazine-2-c...)
Show SMILES NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCCO
Show InChI InChI=1S/C8H12ClN7O2/c9-4-6(11)15-5(10)3(14-4)7(18)16-8(12)13-1-2-17/h17H,1-2H2,(H4,10,11,15)(H3,12,13,16,18)
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n/an/a 107n/an/an/an/an/an/a



Parion Sciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of dog bronchi prototypical epithelial sodium channel by electrophysiological assay


J Med Chem 49: 4098-115 (2006)


Article DOI: 10.1021/jm051134w
BindingDB Entry DOI: 10.7270/Q2FT8KNH
More data for this
Ligand-Target Pair
Amiloride-sensitive sodium channel alpha-subunit


(Homo sapiens (Human))
BDBM50190481
PNG
(CHEMBL214239 | N-(3,5-diamino-6-chloropyrazine-2-c...)
Show SMILES NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCCCCc1ccc(CO)cc1
Show InChI InChI=1S/C17H22ClN7O2/c18-13-15(20)24-14(19)12(23-13)16(27)25-17(21)22-8-2-1-3-10-4-6-11(9-26)7-5-10/h4-7,26H,1-3,8-9H2,(H4,19,20,24)(H3,21,22,25,27)
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n/an/a 14n/an/an/an/an/an/a



Parion Sciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of dog bronchi prototypical epithelial sodium channel by electrophysiological assay


J Med Chem 49: 4098-115 (2006)


Article DOI: 10.1021/jm051134w
BindingDB Entry DOI: 10.7270/Q2FT8KNH
More data for this
Ligand-Target Pair
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