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BDBM81818 CAS_1794::CHEMBL1909810::HMA::NSC_1794

SMILES: NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1

InChI Key: InChIKey=RQQJJXVETXFINY-UHFFFAOYSA-N

Data: 34 KI  12 IC50

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 46 hits for monomerid = 81818   
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
Calcium release-activated calcium channel


(Homo sapiens (Human))
BDBM81818
PNG
(CAS_1794 | CHEMBL1909810 | HMA | NSC_1794)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
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54n/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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM81818
PNG
(CAS_1794 | CHEMBL1909810 | HMA | NSC_1794)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
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61n/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))
BDBM81818
PNG
(CAS_1794 | CHEMBL1909810 | HMA | NSC_1794)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
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400n/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 A1 receptor


(BOVINE)
BDBM81818
PNG
(CAS_1794 | CHEMBL1909810 | HMA | NSC_1794)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
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410n/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))
BDBM81818
PNG
(CAS_1794 | CHEMBL1909810 | HMA | NSC_1794)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
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1.00E+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
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM81818
PNG
(CAS_1794 | CHEMBL1909810 | HMA | NSC_1794)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
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1.20E+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/surface receptor


(Homo sapiens (Human))
BDBM81818
PNG
(CAS_1794 | CHEMBL1909810 | HMA | NSC_1794)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
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1.36E+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)


BindingDB Entry DOI: 10.7270/Q2QF8WH4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM81818
PNG
(CAS_1794 | CHEMBL1909810 | HMA | NSC_1794)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
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2.90E+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
Muscarinic acetylcholine receptor M1


(RAT)
BDBM81818
PNG
(CAS_1794 | CHEMBL1909810 | HMA | NSC_1794)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
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3.60E+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
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM81818
PNG
(CAS_1794 | CHEMBL1909810 | HMA | NSC_1794)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
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3.90E+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
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM81818
PNG
(CAS_1794 | CHEMBL1909810 | HMA | NSC_1794)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
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4.60E+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
Muscarinic acetylcholine receptor M3


(RAT)
BDBM81818
PNG
(CAS_1794 | CHEMBL1909810 | HMA | NSC_1794)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
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4.70E+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
adrenergic Alpha2


(RAT)
BDBM81818
PNG
(CAS_1794 | CHEMBL1909810 | HMA | NSC_1794)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
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5.20E+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
Histamine H1 receptor


(RAT)
BDBM81818
PNG
(CAS_1794 | CHEMBL1909810 | HMA | NSC_1794)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
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5.60E+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
HTR2C


(PIG)
BDBM81818
PNG
(CAS_1794 | CHEMBL1909810 | HMA | NSC_1794)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
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6.70E+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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM81818
PNG
(CAS_1794 | CHEMBL1909810 | HMA | NSC_1794)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
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7.90E+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))
BDBM81818
PNG
(CAS_1794 | CHEMBL1909810 | HMA | NSC_1794)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
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9.31E+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)


BindingDB Entry DOI: 10.7270/Q2QF8WH4
More data for this
Ligand-Target Pair
TRH


(RAT)
BDBM81818
PNG
(CAS_1794 | CHEMBL1909810 | HMA | NSC_1794)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
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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)
BDBM81818
PNG
(CAS_1794 | CHEMBL1909810 | HMA | NSC_1794)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
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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)
BDBM81818
PNG
(CAS_1794 | CHEMBL1909810 | HMA | NSC_1794)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
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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)
BDBM81818
PNG
(CAS_1794 | CHEMBL1909810 | HMA | NSC_1794)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
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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 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM81818
PNG
(CAS_1794 | CHEMBL1909810 | HMA | NSC_1794)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
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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 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM81818
PNG
(CAS_1794 | CHEMBL1909810 | HMA | NSC_1794)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
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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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM81818
PNG
(CAS_1794 | CHEMBL1909810 | HMA | NSC_1794)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
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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
DOPAMINE


(RAT)
BDBM81818
PNG
(CAS_1794 | CHEMBL1909810 | HMA | NSC_1794)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
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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)
BDBM81818
PNG
(CAS_1794 | CHEMBL1909810 | HMA | NSC_1794)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
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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)
BDBM81818
PNG
(CAS_1794 | CHEMBL1909810 | HMA | NSC_1794)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
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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))
BDBM81818
PNG
(CAS_1794 | CHEMBL1909810 | HMA | NSC_1794)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
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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 receptor beta


(Rattus norvegicus (Rat))
BDBM81818
PNG
(CAS_1794 | CHEMBL1909810 | HMA | NSC_1794)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
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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))
BDBM81818
PNG
(CAS_1794 | CHEMBL1909810 | HMA | NSC_1794)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
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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))
BDBM81818
PNG
(CAS_1794 | CHEMBL1909810 | HMA | NSC_1794)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
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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
HTR1D


(Bos taurus (Bovine))
BDBM81818
PNG
(CAS_1794 | CHEMBL1909810 | HMA | NSC_1794)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
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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))
BDBM81818
PNG
(CAS_1794 | CHEMBL1909810 | HMA | NSC_1794)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
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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 (5-HT) receptor


(Rattus norvegicus (rat))
BDBM81818
PNG
(CAS_1794 | CHEMBL1909810 | HMA | NSC_1794)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
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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
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM81818
PNG
(CAS_1794 | CHEMBL1909810 | HMA | NSC_1794)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of urokinase-type plasminogen activator


Bioorg Med Chem Lett 21: 6760-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.044
BindingDB Entry DOI: 10.7270/Q2VT1SH8
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM81818
PNG
(CAS_1794 | CHEMBL1909810 | HMA | NSC_1794)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
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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 human plasma kallikrein using chromogenic L-pyroGlu-L-Pro-L-Arg-p-nitroaniline as substrate by fluorescence assay


J Med Chem 61: 8299-8320 (2018)


BindingDB Entry DOI: 10.7270/Q2QF8WH4
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM81818
PNG
(CAS_1794 | CHEMBL1909810 | HMA | NSC_1794)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
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n/an/a>1.00E+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-Pro-L-Arg-p-nitoraniline as substrate by fluorescence assay


J Med Chem 61: 8299-8320 (2018)


BindingDB Entry DOI: 10.7270/Q2QF8WH4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM81818
PNG
(CAS_1794 | CHEMBL1909810 | HMA | NSC_1794)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
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PubMed
n/an/a 5.10E+3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM-241,385 from human N-terminal FLAG-tagged adenosine A2A receptor expressed in HEK293 cell membrane by microbeta scintillation ...


J Med Chem 59: 4769-77 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00142
BindingDB Entry DOI: 10.7270/Q2BC41GQ
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM81818
PNG
(CAS_1794 | CHEMBL1909810 | HMA | NSC_1794)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
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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 activated protein C (unknown origin) using chromogenic L-pyroGlu-L-Pro-L-Arg-p-nitroaniline as substrate by fluorescence assay


J Med Chem 61: 8299-8320 (2018)


BindingDB Entry DOI: 10.7270/Q2QF8WH4
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human))
BDBM81818
PNG
(CAS_1794 | CHEMBL1909810 | HMA | NSC_1794)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
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n/an/a 270n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM-241,385 from human N-terminal FLAG-tagged adenosine A2A receptor W246A 6.48 mutant expressed in HEK293 cell membrane by microb...


J Med Chem 59: 4769-77 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00142
BindingDB Entry DOI: 10.7270/Q2BC41GQ
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM81818
PNG
(CAS_1794 | CHEMBL1909810 | HMA | NSC_1794)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
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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 factor 11a (unknown origin) using chromogenic L-pyroGlu-L-Pro-L-Arg-p-nitroaniline as substrate by fluorescence assay


J Med Chem 61: 8299-8320 (2018)


BindingDB Entry DOI: 10.7270/Q2QF8WH4
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM81818
PNG
(CAS_1794 | CHEMBL1909810 | HMA | NSC_1794)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of tPA (unknown origin) using chromogenic H-D-Ile-L-Pro-L-Arg-p-nitoraniline as substrate by fluorescence assay


J Med Chem 61: 8299-8320 (2018)


BindingDB Entry DOI: 10.7270/Q2QF8WH4
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator/surface receptor


(Homo sapiens (Human))
BDBM81818
PNG
(CAS_1794 | CHEMBL1909810 | HMA | NSC_1794)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of human kidney uPA using chromogenic H-D-Ile-L-Pro-L-Arg-p-nitoraniline as substrate by fluorescence assay


J Med Chem 61: 8299-8320 (2018)


BindingDB Entry DOI: 10.7270/Q2QF8WH4
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM81818
PNG
(CAS_1794 | CHEMBL1909810 | HMA | NSC_1794)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of plasmin (unknown origin) using chromogenic H-D-Ile-L-Pro-L-Arg-p-nitoraniline as substrate by fluorescence assay


J Med Chem 61: 8299-8320 (2018)


BindingDB Entry DOI: 10.7270/Q2QF8WH4
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM81818
PNG
(CAS_1794 | CHEMBL1909810 | HMA | NSC_1794)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
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UniChem

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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of thrombin (unknown origin) using chromogenic H-D-Ile-L-Pro-L-Arg-p-nitoraniline as substrate by fluorescence assay


J Med Chem 61: 8299-8320 (2018)


BindingDB Entry DOI: 10.7270/Q2QF8WH4
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM81818
PNG
(CAS_1794 | CHEMBL1909810 | HMA | NSC_1794)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
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UniChem

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



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of factor 10a (unknown origin) using chromogenic H-D-Ile-L-Pro-L-Arg-p-nitoraniline as substrate by fluorescence assay


J Med Chem 61: 8299-8320 (2018)


BindingDB Entry DOI: 10.7270/Q2QF8WH4
More data for this
Ligand-Target Pair