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BDBM25796 5-{[4-(9H-fluoren-9-yl)piperazin-1-yl]carbonyl}-1H-indole::piperazine, p3

SMILES: O=C(N1CCN(CC1)C1c2ccccc2-c2ccccc12)c1ccc2[nH]ccc2c1

InChI Key: InChIKey=YYMZSGIXLQPFAC-UHFFFAOYSA-N

Data: 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 1 hit for monomerid = 25796   
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 (InhA)


(Mycobacterium tuberculosis)
BDBM25796
PNG
(5-{[4-(9H-fluoren-9-yl)piperazin-1-yl]carbonyl}-1H...)
Show SMILES O=C(N1CCN(CC1)C1c2ccccc2-c2ccccc12)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C26H23N3O/c30-26(19-9-10-24-18(17-19)11-12-27-24)29-15-13-28(14-16-29)25-22-7-3-1-5-20(22)21-6-2-4-8-23(21)25/h1-12,17,25,27H,13-16H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
DrugBank
MMDB
PDB
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Incyte Corporation



Assay Description
The assay measured the NADH-dependent catalysis of an octenoyl-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to ...


Bioorg Med Chem 15: 6649-58 (2007)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)