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BDBM50392117 CHEMBL1945507

SMILES: Cc1cc2ncn(Cc3ccc(Cl)c(Cl)c3)c2cc1C

InChI Key: InChIKey=PCJBTWVYIQBUCM-UHFFFAOYSA-N

Data: 1 KI  1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50392117   
Target
(Institution)
LigandTarget
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-[acyl-carrier-protein] reductase [NADH]


(Francisella tularensis subsp. tularensis (strain S...)
BDBM50392117
PNG
(CHEMBL1945507)
Show SMILES Cc1cc2ncn(Cc3ccc(Cl)c(Cl)c3)c2cc1C
Show InChI InChI=1S/C16H14Cl2N2/c1-10-5-15-16(6-11(10)2)20(9-19-15)8-12-3-4-13(17)14(18)7-12/h3-7,9H,8H2,1-2H3
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
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CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
Article
PubMed
360n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Competitive inhibition of Francisella tularensis subsp. tularensis SCHU4 N-terminal His-tagged FabI expressed in Escherichia coli BL21(DE3) using cro...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Enoyl-acyl carrier reductase


(Toxoplasma gondii)
BDBM50392117
PNG
(CHEMBL1945507)
Show SMILES Cc1cc2ncn(Cc3ccc(Cl)c(Cl)c3)c2cc1C
Show InChI InChI=1S/C16H14Cl2N2/c1-10-5-15-16(6-11(10)2)20(9-19-15)8-12-3-4-13(17)14(18)7-12/h3-7,9H,8H2,1-2H3
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii enoyl-ACP reductase-NADH complex


Citation and Details
More data for this
Ligand-Target Pair