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SMILES: O=C(c1cccc(c1)C#N)c1cnc(NCc2ccccc2)nc1

InChI Key: InChIKey=RXWGCAHYHQFVJH-UHFFFAOYSA-N

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 = 394672   
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
Pantetheinase


(Homo sapiens (Human))
BDBM394672
PNG
(3-{[2- (benzylamino) pyrimidin-5- yl]carbonyl} ben...)
Show SMILES O=C(c1cccc(c1)C#N)c1cnc(NCc2ccccc2)nc1
Show InChI InChI=1S/C19H14N4O/c20-10-15-7-4-8-16(9-15)18(24)17-12-22-19(23-13-17)21-11-14-5-2-1-3-6-14/h1-9,12-13H,11H2,(H,21,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 79.7n/an/an/an/an/an/a



GSK



Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


Bioorg Med Chem Lett 19: 3664-8 (2009)


BindingDB Entry DOI: 10.7270/Q22809Z8
More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM394672
PNG
(3-{[2- (benzylamino) pyrimidin-5- yl]carbonyl} ben...)
Show SMILES O=C(c1cccc(c1)C#N)c1cnc(NCc2ccccc2)nc1
Show InChI InChI=1S/C19H14N4O/c20-10-15-7-4-8-16(9-15)18(24)17-12-22-19(23-13-17)21-11-14-5-2-1-3-6-14/h1-9,12-13H,11H2,(H,21,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 52.2n/an/an/an/an/an/a



GSK



Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


Bioorg Med Chem Lett 19: 3664-8 (2009)


BindingDB Entry DOI: 10.7270/Q22809Z8
More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM394672
PNG
(3-{[2- (benzylamino) pyrimidin-5- yl]carbonyl} ben...)
Show SMILES O=C(c1cccc(c1)C#N)c1cnc(NCc2ccccc2)nc1
Show InChI InChI=1S/C19H14N4O/c20-10-15-7-4-8-16(9-15)18(24)17-12-22-19(23-13-17)21-11-14-5-2-1-3-6-14/h1-9,12-13H,11H2,(H,21,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 40.4n/an/an/an/an/an/a



GSK



Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


Bioorg Med Chem Lett 19: 3664-8 (2009)


BindingDB Entry DOI: 10.7270/Q22809Z8
More data for this
Ligand-Target Pair