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BDBM222349 CYP144A1 ligand, 4

SMILES: Brc1ccc(cc1)-c1c[nH]cn1

InChI Key: InChIKey=YLIOAWKNPLJMID-UHFFFAOYSA-N

Data: 1 Kd

PDB links: 2 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 1 hit for monomerid = 222349   
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 144 (CYP144A1-TRV)


(Mycobacterium tuberculosis)
BDBM222349
PNG
(CYP144A1 ligand, 4)
Show SMILES Brc1ccc(cc1)-c1c[nH]cn1
Show InChI InChI=1S/C9H7BrN2/c10-8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H,(H,11,12)
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/a 2.30E+5n/an/an/an/an/a



University of Cambridge



Assay Description
Optical titrations to determine the binding affinity (KD values) of ligands were carried out on a Cary 60 UV−visible spectrophotometer (Varian,...


Biochemistry 56: 1559-1572 (2017)

More data for this
Ligand-Target Pair