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BDBM50325182 6-(((3R,4R/3S,4S)-4-(3-(4-Chlorophenoxy)phnoxy)-pyrrolidin-3-yl)methyl)pyridin-2-amine::CHEMBL1222610

SMILES: Nc1cccc(C[C@@H]2CNC[C@@H]2Oc2cccc(Oc3ccc(Cl)cc3)c2)n1

InChI Key: InChIKey=RHENUISGQBPBKE-FFPNMHRKNA-N

Data: 3 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50325182   
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, brain


(Rattus norvegicus (rat))
BDBM50325182
PNG
(6-(((3R,4R/3S,4S)-4-(3-(4-Chlorophenoxy)phnoxy)-py...)
Show SMILES Nc1cccc(C[C@@H]2CNC[C@@H]2Oc2cccc(Oc3ccc(Cl)cc3)c2)n1
Show InChI InChI=1/C22H22ClN3O2/c23-16-7-9-18(10-8-16)27-19-4-2-5-20(12-19)28-21-14-25-13-15(21)11-17-3-1-6-22(24)26-17/h1-10,12,15,21,25H,11,13-14H2,(H2,24,26)/t15-,21+/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.40E+3n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant nNOS expressed in Escherichia coli by hemoglobin capture assay


Bioorg Med Chem 18: 6526-37 (2010)


Article DOI: 10.1016/j.bmc.2010.06.074
BindingDB Entry DOI: 10.7270/Q26110HX
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, endothelial


(Bos taurus (bovine))
BDBM50325182
PNG
(6-(((3R,4R/3S,4S)-4-(3-(4-Chlorophenoxy)phnoxy)-py...)
Show SMILES Nc1cccc(C[C@@H]2CNC[C@@H]2Oc2cccc(Oc3ccc(Cl)cc3)c2)n1
Show InChI InChI=1/C22H22ClN3O2/c23-16-7-9-18(10-8-16)27-19-4-2-5-20(12-19)28-21-14-25-13-15(21)11-17-3-1-6-22(24)26-17/h1-10,12,15,21,25H,11,13-14H2,(H2,24,26)/t15-,21+/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.60E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of bovine recombinant eNOS expressed in Escherichia coli by hemoglobin capture assay


Bioorg Med Chem 18: 6526-37 (2010)


Article DOI: 10.1016/j.bmc.2010.06.074
BindingDB Entry DOI: 10.7270/Q26110HX
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50325182
PNG
(6-(((3R,4R/3S,4S)-4-(3-(4-Chlorophenoxy)phnoxy)-py...)
Show SMILES Nc1cccc(C[C@@H]2CNC[C@@H]2Oc2cccc(Oc3ccc(Cl)cc3)c2)n1
Show InChI InChI=1/C22H22ClN3O2/c23-16-7-9-18(10-8-16)27-19-4-2-5-20(12-19)28-21-14-25-13-15(21)11-17-3-1-6-22(24)26-17/h1-10,12,15,21,25H,11,13-14H2,(H2,24,26)/t15-,21+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.95E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS expressed in Escherichia coli by hemoglobin capture assay


Bioorg Med Chem 18: 6526-37 (2010)


Article DOI: 10.1016/j.bmc.2010.06.074
BindingDB Entry DOI: 10.7270/Q26110HX
More data for this
Ligand-Target Pair