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SMILES: Nc1ccc(cc1)C(=O)OCCCc1nc2cc3ccccc3cc2[nH]1

InChI Key: InChIKey=BHWCXEGEAIORHG-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 81427   
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
Inosine-5'-monophosphate dehydrogenase


(Cryptosporidium parvum)
BDBM81427
PNG
(3-{1H-naphtho[2,3-d]imidazol-2-yl}propyl 4-aminobe...)
Show SMILES Nc1ccc(cc1)C(=O)OCCCc1nc2cc3ccccc3cc2[nH]1
Show InChI InChI=1S/C21H19N3O2/c22-17-9-7-14(8-10-17)21(25)26-11-3-6-20-23-18-12-15-4-1-2-5-16(15)13-19(18)24-20/h1-2,4-5,7-10,12-13H,3,6,11,22H2,(H,23,24)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 900n/an/an/an/a8.025



Brandeis University



Assay Description
Inhibition assay using inosine 5'-onophosphate dehydrogenase (IMPD).


Chem Biol 17: 1084-91 (2010)


Article DOI: 10.1016/j.chembiol.2010.07.014
BindingDB Entry DOI: 10.7270/Q2GH9GF5
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Streptococcus pyogenes)
BDBM81427
PNG
(3-{1H-naphtho[2,3-d]imidazol-2-yl}propyl 4-aminobe...)
Show SMILES Nc1ccc(cc1)C(=O)OCCCc1nc2cc3ccccc3cc2[nH]1
Show InChI InChI=1S/C21H19N3O2/c22-17-9-7-14(8-10-17)21(25)26-11-3-6-20-23-18-12-15-4-1-2-5-16(15)13-19(18)24-20/h1-2,4-5,7-10,12-13H,3,6,11,22H2,(H,23,24)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 860n/an/an/an/a8.025



Brandeis University



Assay Description
Inhibition assay using inosine 5'-onophosphate dehydrogenase (IMPD).


Chem Biol 17: 1084-91 (2010)


Article DOI: 10.1016/j.chembiol.2010.07.014
BindingDB Entry DOI: 10.7270/Q2GH9GF5
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Borrelia burgdorferi)
BDBM81427
PNG
(3-{1H-naphtho[2,3-d]imidazol-2-yl}propyl 4-aminobe...)
Show SMILES Nc1ccc(cc1)C(=O)OCCCc1nc2cc3ccccc3cc2[nH]1
Show InChI InChI=1S/C21H19N3O2/c22-17-9-7-14(8-10-17)21(25)26-11-3-6-20-23-18-12-15-4-1-2-5-16(15)13-19(18)24-20/h1-2,4-5,7-10,12-13H,3,6,11,22H2,(H,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 900n/an/an/an/a8.025



Brandeis University



Assay Description
Inhibition assay using inosine 5'-onophosphate dehydrogenase (IMPD).


Chem Biol 17: 1084-91 (2010)


Article DOI: 10.1016/j.chembiol.2010.07.014
BindingDB Entry DOI: 10.7270/Q2GH9GF5
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Helicobacter pylori (strain G27))
BDBM81427
PNG
(3-{1H-naphtho[2,3-d]imidazol-2-yl}propyl 4-aminobe...)
Show SMILES Nc1ccc(cc1)C(=O)OCCCc1nc2cc3ccccc3cc2[nH]1
Show InChI InChI=1S/C21H19N3O2/c22-17-9-7-14(8-10-17)21(25)26-11-3-6-20-23-18-12-15-4-1-2-5-16(15)13-19(18)24-20/h1-2,4-5,7-10,12-13H,3,6,11,22H2,(H,23,24)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+3n/an/an/an/a8.025



Brandeis University



Assay Description
Inhibition assay using inosine 5'-onophosphate dehydrogenase (IMPD).


Chem Biol 17: 1084-91 (2010)


Article DOI: 10.1016/j.chembiol.2010.07.014
BindingDB Entry DOI: 10.7270/Q2GH9GF5
More data for this
Ligand-Target Pair