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SMILES: Fc1ccc(NC(=O)N2CCC(CC2)c2nc3n(Cc4cccc(Cl)c4)nnc3c(=O)[nH]2)cc1

InChI Key: InChIKey=FWIMGCPNVJGLRK-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 = 38527   
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
Mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38527
PNG
(4-[3-(3-Chloro-benzyl)-7-hydroxy-3H-[1,2,3]triazol...)
Show SMILES Fc1ccc(NC(=O)N2CCC(CC2)c2nc3n(Cc4cccc(Cl)c4)nnc3c(=O)[nH]2)cc1
Show InChI InChI=1S/C23H21ClFN7O2/c24-16-3-1-2-14(12-16)13-32-21-19(29-30-32)22(33)28-20(27-21)15-8-10-31(11-9-15)23(34)26-18-6-4-17(25)5-7-18/h1-7,12,15H,8-11,13H2,(H,26,34)(H,27,28,33)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>1.00E+7n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q27P8WSS
More data for this
Ligand-Target Pair
Mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38527
PNG
(4-[3-(3-Chloro-benzyl)-7-hydroxy-3H-[1,2,3]triazol...)
Show SMILES Fc1ccc(NC(=O)N2CCC(CC2)c2nc3n(Cc4cccc(Cl)c4)nnc3c(=O)[nH]2)cc1
Show InChI InChI=1S/C23H21ClFN7O2/c24-16-3-1-2-14(12-16)13-32-21-19(29-30-32)22(33)28-20(27-21)15-8-10-31(11-9-15)23(34)26-18-6-4-17(25)5-7-18/h1-7,12,15H,8-11,13H2,(H,26,34)(H,27,28,33)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>1.00E+7n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2CF9NG2
More data for this
Ligand-Target Pair
Mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38527
PNG
(4-[3-(3-Chloro-benzyl)-7-hydroxy-3H-[1,2,3]triazol...)
Show SMILES Fc1ccc(NC(=O)N2CCC(CC2)c2nc3n(Cc4cccc(Cl)c4)nnc3c(=O)[nH]2)cc1
Show InChI InChI=1S/C23H21ClFN7O2/c24-16-3-1-2-14(12-16)13-32-21-19(29-30-32)22(33)28-20(27-21)15-8-10-31(11-9-15)23(34)26-18-6-4-17(25)5-7-18/h1-7,12,15H,8-11,13H2,(H,26,34)(H,27,28,33)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.71E+5n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q23X852V
More data for this
Ligand-Target Pair