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BDBM50330888 CHEMBL1277055::trans rac-(R)-N1-(4-((6-aminopyridin-2-yl)methyl)pyrrolidin-3-yl)-3-phenylpropane-1,2-diamine tetrahydrochloride

SMILES: N[C@@H](CN[C@H]1CNC[C@@H]1Cc1cccc(N)n1)Cc1ccccc1

InChI Key: InChIKey=DOAKWAVPWDYBCX-LUAJWBGVNA-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 = 50330888   
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, inducible


(Mus musculus (mouse))
BDBM50330888
PNG
(CHEMBL1277055 | trans rac-(R)-N1-(4-((6-aminopyrid...)
Show SMILES N[C@@H](CN[C@H]1CNC[C@@H]1Cc1cccc(N)n1)Cc1ccccc1
Show InChI InChI=1/C19H27N5/c20-16(9-14-5-2-1-3-6-14)12-23-18-13-22-11-15(18)10-17-7-4-8-19(21)24-17/h1-8,15-16,18,22-23H,9-13,20H2,(H2,21,24)/t15-,16+,18-/s2
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.39E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS


J Med Chem 53: 7804-24 (2010)


Article DOI: 10.1021/jm100947x
BindingDB Entry DOI: 10.7270/Q2NC61FT
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50330888
PNG
(CHEMBL1277055 | trans rac-(R)-N1-(4-((6-aminopyrid...)
Show SMILES N[C@@H](CN[C@H]1CNC[C@@H]1Cc1cccc(N)n1)Cc1ccccc1
Show InChI InChI=1/C19H27N5/c20-16(9-14-5-2-1-3-6-14)12-23-18-13-22-11-15(18)10-17-7-4-8-19(21)24-17/h1-8,15-16,18,22-23H,9-13,20H2,(H2,21,24)/t15-,16+,18-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.99E+5n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant nNOS


J Med Chem 53: 7804-24 (2010)


Article DOI: 10.1021/jm100947x
BindingDB Entry DOI: 10.7270/Q2NC61FT
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, endothelial


(Bos taurus (bovine))
BDBM50330888
PNG
(CHEMBL1277055 | trans rac-(R)-N1-(4-((6-aminopyrid...)
Show SMILES N[C@@H](CN[C@H]1CNC[C@@H]1Cc1cccc(N)n1)Cc1ccccc1
Show InChI InChI=1/C19H27N5/c20-16(9-14-5-2-1-3-6-14)12-23-18-13-22-11-15(18)10-17-7-4-8-19(21)24-17/h1-8,15-16,18,22-23H,9-13,20H2,(H2,21,24)/t15-,16+,18-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.45E+6n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of bovine recombinant eNOS


J Med Chem 53: 7804-24 (2010)


Article DOI: 10.1021/jm100947x
BindingDB Entry DOI: 10.7270/Q2NC61FT
More data for this
Ligand-Target Pair