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BDBM92572 Aniline

SMILES: Nc1ccccc1

InChI Key: InChIKey=PAYRUJLWNCNPSJ-UHFFFAOYSA-N

Data: 3 Kd

PDB links: 9 PDB IDs match 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 3 hits for monomerid = 92572   
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
Cytochrome P450 130


(Mycobacterium tuberculosis)
BDBM92572
PNG
(Aniline)
Show SMILES Nc1ccccc1
Show InChI InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/a 5.52E+4n/an/an/an/an/a



University of California San Francisco



Assay Description
Binding assay using CYP130, CYP130 (G234) or CYP142.


J Biol Chem 284: 25211-9 (2009)


Article DOI: 10.1074/jbc.M109.017632
BindingDB Entry DOI: 10.7270/Q2RR1WVC
More data for this
Ligand-Target Pair
Cytochrome P450 142 (CYP142)


(Mycobacterium tuberculosis)
BDBM92572
PNG
(Aniline)
Show SMILES Nc1ccccc1
Show InChI InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/a 5.92E+4n/an/an/an/an/a



University of California San Francisco



Assay Description
Binding assay using CYP130, CYP130 (G234) or CYP142.


J Biol Chem 284: 25211-9 (2009)


Article DOI: 10.1074/jbc.M109.017632
BindingDB Entry DOI: 10.7270/Q2RR1WVC
More data for this
Ligand-Target Pair
Cytochrome P450 130 (G243A)


(Mycobacterium tuberculosis)
BDBM92572
PNG
(Aniline)
Show SMILES Nc1ccccc1
Show InChI InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/a 2.50E+6n/an/an/an/an/a



University of California San Francisco



Assay Description
Binding assay using CYP130, CYP130 (G234) or CYP142.


J Biol Chem 284: 25211-9 (2009)


Article DOI: 10.1074/jbc.M109.017632
BindingDB Entry DOI: 10.7270/Q2RR1WVC
More data for this
Ligand-Target Pair