BindingDB logo
myBDB logout

BDBM222348 CYP144A1 ligand, 3

SMILES: Nc1[nH]nc(c1-c1ccc(O)c(c1)-c1cccc(N)c1)-c1ccc(O)cc1

InChI Key: InChIKey=YIPHDXIYQIAWDD-UHFFFAOYSA-N

Data: 1 Kd

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 = 222348   
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)
BDBM222348
PNG
(CYP144A1 ligand, 3)
Show SMILES Nc1[nH]nc(c1-c1ccc(O)c(c1)-c1cccc(N)c1)-c1ccc(O)cc1
Show InChI InChI=1S/C21H18N4O2/c22-15-3-1-2-13(10-15)17-11-14(6-9-18(17)27)19-20(24-25-21(19)23)12-4-7-16(26)8-5-12/h1-11,26-27H,22H2,(H3,23,24,25)
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/a 1.40E+5n/an/an/a7.525



University of Cambridge



Assay Description
ITC binding isotherms were recorded on a MicroCal ITC200 instrument (MalvernInstruments). Titrations were conducted at 25 C by injecting aliquots (2...


Biochemistry 56: 1559-1572 (2017)

More data for this
Ligand-Target Pair