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BDBM8722 3-(6-Aminopyridin-3-yl)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]propionamide::3-(6-aminopyridin-3-yl)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]propanamide::aminopyridine deriv. 11

SMILES: CN(Cc1cc2ccccc2n1C)C(=O)CCc1ccc(N)nc1

InChI Key: InChIKey=CAEFFYSYRJMIGG-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 8722   
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
Enoyl-ACP Reductase (FabI)


(Haemophilus influenzae)
BDBM8722
PNG
(3-(6-Aminopyridin-3-yl)-N-methyl-N-[(1-methyl-1H-i...)
Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)CCc1ccc(N)nc1
Show InChI InChI=1S/C19H22N4O/c1-22(19(24)10-8-14-7-9-18(20)21-12-14)13-16-11-15-5-3-4-6-17(15)23(16)2/h3-7,9,11-12H,8,10,13H2,1-2H3,(H2,20,21)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.74E+4n/an/an/an/an/a30



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


J Med Chem 45: 3246-56 (2002)


Article DOI: 10.1021/jm020050+
BindingDB Entry DOI: 10.7270/Q2J38QQR
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Staphylococcus aureus)
BDBM8722
PNG
(3-(6-Aminopyridin-3-yl)-N-methyl-N-[(1-methyl-1H-i...)
Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)CCc1ccc(N)nc1
Show InChI InChI=1S/C19H22N4O/c1-22(19(24)10-8-14-7-9-18(20)21-12-14)13-16-11-15-5-3-4-6-17(15)23(16)2/h3-7,9,11-12H,8,10,13H2,1-2H3,(H2,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.37E+4n/an/an/an/a6.530



GlaxoSmithKline



Assay Description
Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...


J Med Chem 45: 3246-56 (2002)


Article DOI: 10.1021/jm020050+
BindingDB Entry DOI: 10.7270/Q2J38QQR
More data for this
Ligand-Target Pair