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BDBM50095180 CHEMBL545486::N-Butyl-N'-propyl-guanidine; hydrochloride

SMILES: CCCCNC(=N)NCCC

InChI Key: InChIKey=VDQPWRPSSGDRGG-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50095180   
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
Nitric Oxide Synthase, endothelial


(Bos taurus (bovine))
BDBM50095180
PNG
(CHEMBL545486 | N-Butyl-N'-propyl-guanidine; hydroc...)
Show SMILES CCCCNC(=N)NCCC
Show InChI InChI=1S/C8H19N3/c1-3-5-7-11-8(9)10-6-4-2/h3-7H2,1-2H3,(H3,9,10,11)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.50E+5n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition against endothelial Nitric Oxide Synthase(eNOS)


Bioorg Med Chem Lett 10: 2771-4 (2000)


Article DOI: 10.1016/s0960-894x(00)00573-4
BindingDB Entry DOI: 10.7270/Q23B60NS
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50095180
PNG
(CHEMBL545486 | N-Butyl-N'-propyl-guanidine; hydroc...)
Show SMILES CCCCNC(=N)NCCC
Show InChI InChI=1S/C8H19N3/c1-3-5-7-11-8(9)10-6-4-2/h3-7H2,1-2H3,(H3,9,10,11)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.00E+5n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition against neuronal Nitric Oxide Synthase(nNOS)


Bioorg Med Chem Lett 10: 2771-4 (2000)


Article DOI: 10.1016/s0960-894x(00)00573-4
BindingDB Entry DOI: 10.7270/Q23B60NS
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50095180
PNG
(CHEMBL545486 | N-Butyl-N'-propyl-guanidine; hydroc...)
Show SMILES CCCCNC(=N)NCCC
Show InChI InChI=1S/C8H19N3/c1-3-5-7-11-8(9)10-6-4-2/h3-7H2,1-2H3,(H3,9,10,11)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.80E+5n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition against induced Nitric Oxide Synthase(iNOS)


Bioorg Med Chem Lett 10: 2771-4 (2000)


Article DOI: 10.1016/s0960-894x(00)00573-4
BindingDB Entry DOI: 10.7270/Q23B60NS
More data for this
Ligand-Target Pair