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BDBM41768 MLS000040805::N-[(2-oxidanylidene-1H-quinolin-3-yl)methyl]-N-propan-2-yl-pyridine-3-carboxamide::N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-yl-3-pyridinecarboxamide::N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylpyridine-3-carboxamide::N-isopropyl-N-[(2-keto-1H-quinolin-3-yl)methyl]nicotinamide::SMR000045745::cid_664836

SMILES: CC(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cccnc1

InChI Key: InChIKey=YRUNVDQFBNTJJU-UHFFFAOYSA-N

Data: 1 IC50  2 EC50

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 = 41768   
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
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM41768
PNG
(MLS000040805 | N-[(2-oxidanylidene-1H-quinolin-3-y...)
Show SMILES CC(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cccnc1
Show InChI InChI=1S/C19H19N3O2/c1-13(2)22(19(24)15-7-5-9-20-11-15)12-16-10-14-6-3-4-8-17(14)21-18(16)23/h3-11,13H,12H2,1-2H3,(H,21,23)
PDB
MMDB

NCI pathway
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KEGG

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>5.00E+4n/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Z036KJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM41768
PNG
(MLS000040805 | N-[(2-oxidanylidene-1H-quinolin-3-y...)
Show SMILES CC(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cccnc1
Show InChI InChI=1S/C19H19N3O2/c1-13(2)22(19(24)15-7-5-9-20-11-15)12-16-10-14-6-3-4-8-17(14)21-18(16)23/h3-11,13H,12H2,1-2H3,(H,21,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>5.00E+4n/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2N58JS6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM41768
PNG
(MLS000040805 | N-[(2-oxidanylidene-1H-quinolin-3-y...)
Show SMILES CC(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cccnc1
Show InChI InChI=1S/C19H19N3O2/c1-13(2)22(19(24)15-7-5-9-20-11-15)12-16-10-14-6-3-4-8-17(14)21-18(16)23/h3-11,13H,12H2,1-2H3,(H,21,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair