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BDBM16173 3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinamide;hydrochloride::3,5-diamino-N-carbamimidoyl-6-chloropyrazine-2-carboxamide::Amiloride::Amipramidin::CHEMBL945

SMILES: NC(=N)NC(=O)c1nc(Cl)c(N)nc1N

InChI Key: InChIKey=XSDQTOBWRPYKKA-UHFFFAOYSA-N

Data: 44 KI  28 IC50

PDB links: 2 PDB IDs match this monomer.

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 72 hits for monomerid = 16173   
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
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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PubMed
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)


Article DOI: 10.3109/10799899109064686
BindingDB Entry DOI: 10.7270/Q2TH8K5J
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator (uPA)


(Mus musculus (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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2.31E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of mouse uPA using Z-Gly-Gly-Arg-AMC as substrate after 15 mins by fluorescence assay


J Med Chem 61: 8299-8320 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00838
BindingDB Entry DOI: 10.7270/Q2QF8WH4
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator/surface receptor


(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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2.43E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of human kidney uPA using Z-Gly-Gly-Arg-AMC as substrate measured over 15 mins by fluorescence assay


J Med Chem 61: 8299-8320 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00838
BindingDB Entry DOI: 10.7270/Q2QF8WH4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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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 A2a


(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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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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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
Urokinase-type plasminogen activator/surface receptor


(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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7.00E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of uPA (unknown origin) using L-pyroglutamyl-glycyl-L-arginine-p-nitro-anilide as susbtrate by Lineweaver-Burk plot analysis


J Med Chem 61: 8299-8320 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00838
BindingDB Entry DOI: 10.7270/Q2QF8WH4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)


Article DOI: 10.3109/10799899109064686
BindingDB Entry DOI: 10.7270/Q2TH8K5J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(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)


Article DOI: 10.3109/10799899109064686
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)


Article DOI: 10.3109/10799899109064686
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)


Article DOI: 10.3109/10799899109064686
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)


Article DOI: 10.3109/10799899109064686
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)


Article DOI: 10.3109/10799899109064686
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)


Article DOI: 10.3109/10799899109064686
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)


Article DOI: 10.3109/10799899109064686
BindingDB Entry DOI: 10.7270/Q2TH8K5J
More data for this
Ligand-Target Pair
Beta-1 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)


Article DOI: 10.3109/10799899109064686
BindingDB Entry DOI: 10.7270/Q2TH8K5J
More data for this
Ligand-Target Pair
Calcium channel (DHP)


(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)


Article DOI: 10.3109/10799899109064686
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)


Article DOI: 10.3109/10799899109064686
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)


Article DOI: 10.3109/10799899109064686
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)


Article DOI: 10.3109/10799899109064686
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)


Article DOI: 10.3109/10799899109064686
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)


Article DOI: 10.3109/10799899109064686
BindingDB Entry DOI: 10.7270/Q2TH8K5J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(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)


Article DOI: 10.3109/10799899109064686
BindingDB Entry DOI: 10.7270/Q2TH8K5J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(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)


Article DOI: 10.3109/10799899109064686
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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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
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)


Article DOI: 10.3109/10799899109064686
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)


Article DOI: 10.3109/10799899109064686
BindingDB Entry DOI: 10.7270/Q2TH8K5J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor 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)


Article DOI: 10.3109/10799899109064686
BindingDB Entry DOI: 10.7270/Q2TH8K5J
More data for this
Ligand-Target Pair
D(1A) dopamine 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)


Article DOI: 10.3109/10799899109064686
BindingDB Entry DOI: 10.7270/Q2TH8K5J
More data for this
Ligand-Target Pair
D(2) dopamine 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)


Article DOI: 10.3109/10799899109064686
BindingDB Entry DOI: 10.7270/Q2TH8K5J
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit 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)


Article DOI: 10.3109/10799899109064686
BindingDB Entry DOI: 10.7270/Q2TH8K5J
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit 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)


Article DOI: 10.3109/10799899109064686
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)


Article DOI: 10.3109/10799899109064686
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)


Article DOI: 10.3109/10799899109064686
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)


Article DOI: 10.3109/10799899109064686
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)


Article DOI: 10.3109/10799899109064686
BindingDB Entry DOI: 10.7270/Q2TH8K5J
More data for this
Ligand-Target Pair
Kappa-type 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)


Article DOI: 10.3109/10799899109064686
BindingDB Entry DOI: 10.7270/Q2TH8K5J
More data for this
Ligand-Target Pair
Mu-type 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)


Article DOI: 10.3109/10799899109064686
BindingDB Entry DOI: 10.7270/Q2TH8K5J
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(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 A2a


(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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Article
PubMed
>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
Serine/threonine-protein kinase D1


(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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PCBioAssay
n/an/a 6.88E+3n/an/an/an/a7.223



University of Pittsburgh

Curated by PubChem BioAssay


Assay Description
The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2FJ2F43
More data for this
Ligand-Target Pair
Trypsin


(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>5.00E+4n/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of trypsin (unknown origin) using chromogenic H-D-Ile-L-propyl-L-arginine-p-nitroaniline as substrate


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126753
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
n/an/a 7.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Urokinase-type plasminogen activator


J Med Chem 43: 3862-6 (2000)


Article DOI: 10.1021/jm0002228
BindingDB Entry DOI: 10.7270/Q2VD6XQC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/a 1.07E+5n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was tested against Urokinase-type plasminogen activator


J Med Chem 47: 2411-3 (2004)


Article DOI: 10.1021/jm0499209
BindingDB Entry DOI: 10.7270/Q2348JTB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
Sodium/hydrogen exchanger


(Amphiuma tridactylum)
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 9.80E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Amphiuma tridactylum wild type NHE1 expressed in chinese hamster AP1 cells assessed as intracellular pHi recovery by ammonium chloride ...


J Biol Chem 282: 19716-27 (2007)


Article DOI: 10.1074/jbc.M701637200
BindingDB Entry DOI: 10.7270/Q2N0169D
More data for this
Ligand-Target Pair
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